ITCMDBv1
IngredientID 12023

Epimedin c

C39H50O19

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 12Ingredient: 1Reference: 1Target: 3Links: 16
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
12023
Core Entity Id
16532
Source Entity Count
1
Preferred Name
Epimedin c
Name En
Pubchem Id
137705275
Smiles Canonical
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=C(C3=O)C(=CC(=C4CC=C(C)C)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC=C(C=C6)OC)C)O)O)O)O)O
Molecular Formula
C39H50O19
Molecular Weight
822.8100
Inchikey
ULZLIYVOYYQJRO-WWLNTHMISA-N
Inchi
InChI=1S/C39H50O19/c1-14(2)6-11-19-21(54-38-32(50)29(47)26(44)22(13-40)55-38)12-20(41)23-27(45)35(33(56-34(19)23)17-7-9-18(51-5)10-8-17)57-39-36(30(48)25(43)16(4)53-39)58-37-31(49)28(46)24(42)15(3)52-37/h6-10,12,15-16,22,24-26,28-32,36-44,46-50H,11,13H2,1-5H3/t15-,16-,22+,24-,25-,26+,28+,29-,30+,31+,32+,36+,37-,38+,39-/m0/s1
Isomeric Smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](OC2OC3=C(OC4=C(C3=O)C(=CC(=C4CC=C(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC=C(C=C6)OC)C)O)O)O)O)O
Cas Id
110642-44-9
Ob Score
16.2948
Mol Logp
-1.0803
Num H Donors
10
Num H Acceptors
19
Num Rotatable Bonds
11
Drug Likeness
0.1030
Polar Surface Area
284.0000
Molecular Volume
524.0000
Alogp
0.0000

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Epimedin C
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3,4',5,7-tetrahydroxy-8-prenylflavone; 4'-me ether,3-o-[alpha-l-rhamnopyranosyl-(1→2)-alpha-l-rhamnopyranoside],7-o-beta-d-glucopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,4',5,7-tetrahydroxy-8-prenylflavone; 4'-me ether,3-o-[alpha-l-rhamnopyranosyl-(1→2)-alpha-l-rhamnopyranoside],7-o-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,4',5,7-tetrahydroxy-8-prenylflavone; 4'-me ether,3-o-[alpha-l-rhamnopyranosyl-(1→2)-alpha-l-rhamnopyranoside],7-o-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4'-Methoxy-5-hydroxy-8-3,3-dimethylallyl-flavone-3-glucosyl-(1-2)rhamnoside-7-glucoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4'-Methoxy-5-hydroxy-8-3,3-dimethylallyl-flavone-3-glucosyl-(1-2)rhamnoside-7-glucoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4'-methoxy-5-hydroxy-8-3,3-dimethylallyl-flavone-3-glucosyl-(1-2)rhamnoside-7-glucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4'-methoxy-5-hydroxy-8-3,3-dimethylallyl-flavone-3-glucosyl-(1-2)rhamnoside-7-glucoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Baohuoside VI
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Baohuoside VI
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Baohuoside Vi
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Baohuoside vi
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Baohuoside vi
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Epimedin C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Epimedin C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Epimedin C
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Epimedin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Epimedin c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
朝鲜淫羊藿;川滇淫羊藿;川鄂淫羊藿;粗毛淫羊藿;箭叶淫羊藿;黔岭淫羊藿;柔毛淫羊藿;天平山淫羊藿;巫山淫羊藿;淫羊藿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
淫羊藿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
箭叶淫羊藿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHAO XIAN YIN YANG HUO; CHUAN DIAN YIN YANG HUO; CHUAN E YIN YANG HUO; CU MAO YIN YANG HUO;JIAN YE YIN YANG HUO; QIAN LING YIN YANG HUO; ROU MAO YIN YANG HUO; TIAN PING SHAN YIN YANG;HUO; WU SHAN YIN YANG HUO; YIN YANG HUO; C MAO YIN YANG HUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Epimedium koreanum
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
JIAN YE YIN YANG HUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Epimedium Herb
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Korean Epimedium; David Epimedium; Farges Epimedium; Acuminatum Epimedium; Sagittate Epimedium; Thin-rhizome Epimedium; Pubescence Epimedium; Tianpingshan Epimedium*; Wushan Epimedium; Shorthorned Epimedium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Sagittate Epimedium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
110642-44-9
Role
alias
Source
HERB_v2
Preferred
No
Name
110642-44-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
119760-73-5
Role
alias
Source
HERB_v2
Preferred
No
Name
119760-73-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5,7-Trihydroxy-4'-methoxy-8-prenylflavone-3-O-rhamnopyranosyl(4-1)rhamnopyranosyl-rhamnopyranosyl(4-1)-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5,7-trihydroxy-4'-methoxy-8-prenylflavone-3-O-rhamnopyranosyl(4--1)rhamnopyranosyl-rhamnopyranosyl(4--1)-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(((2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-methyl-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(((2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-methyl-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-((2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-[(3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-[(3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-{[6-Deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-1-benzopyran-7-yl hexopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-{[6-Deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-1-benzopyran-7-yl hexopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 3-((6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 3-((6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 3-((6-deoxy-4-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one, 3-((6-deoxy-4-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10923099
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10923099
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90149351
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90149351
Role
alias
Source
itcmdb_public
Preferred
No
Name
Epimedin C
Role
alias
Source
HERB_v2
Preferred
No
Name
Epimedin-C
Role
alias
Source
itcmdb_public
Preferred
No
Name
Epmedin C
Role
alias
Source
itcmdb_public
Preferred
No
Name
Epmedin C
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD04039820
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD04039820
Role
alias
Source
itcmdb_public
Preferred
No
Name
epimedin c
Role
alias
Source
TCMBank
Preferred
No
Name
13.补虚药(60-62)
Role
level1_name
Source
TCMBank
Preferred
No
Name
tonifying and replenishing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
2.补阳药(22-23)
Role
level2_name
Source
TCMBank
Preferred
No
Name
yang-tonifying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

3,4',5,7-tetrahydroxy-8-prenylflavone; 4'-me ether,3-o-[alpha-l-rhamnopyranosyl-(1→2)-alpha-l-rhamnopyranoside],7-o-beta-d-glucopyranoside4'-Methoxy-5-hydroxy-8-3,3-dimethylallyl-flavone-3-glucosyl-(1-2)rhamnoside-7-glucosideBaohuoside VI朝鲜淫羊藿;川滇淫羊藿;川鄂淫羊藿;粗毛淫羊藿;箭叶淫羊藿;黔岭淫羊藿;柔毛淫羊藿;天平山淫羊藿;巫山淫羊藿;淫羊藿淫羊藿箭叶淫羊藿CHAO XIAN YIN YANG HUO; CHUAN DIAN YIN YANG HUO; CHUAN E YIN YANG HUO; CU MAO YIN YANG HUO;JIAN YE YIN YANG HUO; QIAN LING YIN YANG HUO; ROU MAO YIN YANG HUO; TIAN PING SHAN YIN YANG;HUO; WU SHAN YIN YANG HUO; YIN YANG HUO; C MAO YIN YANG HUOEpimedium koreanumJIAN YE YIN YANG HUOEpimedium HerbKorean Epimedium; David Epimedium; Farges Epimedium; Acuminatum Epimedium; Sagittate Epimedium; Thin-rhizome Epimedium; Pubescence Epimedium; Tianpingshan Epimedium*; Wushan Epimedium; Shorthorned EpimediumSagittate Epimedium110642-44-9119760-73-53,5,7-Trihydroxy-4'-methoxy-8-prenylflavone-3-O-rhamnopyranosyl(4-1)rhamnopyranosyl-rhamnopyranosyl(4-1)-glucopyranoside3,5,7-trihydroxy-4'-methoxy-8-prenylflavone-3-O-rhamnopyranosyl(4--1)rhamnopyranosyl-rhamnopyranosyl(4--1)-glucopyranoside3-(((2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-methyl-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one3-((2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one3-[(3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one3-{[6-Deoxy-2-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-1-benzopyran-7-yl hexopyranoside4H-1-Benzopyran-4-one, 3-((6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-Benzopyran-4-one, 3-((6-deoxy-4-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-DTXSID10923099DTXSID90149351Epimedin-CEpmedin CMFCD0403982013.补虚药(60-62)tonifying and replenishing medicinal2.补阳药(22-23)yang-tonifying medicinal

Cross References

Trusted external identifiers retained for this final record.

Cas
110642-44-9
Herb
HBIN007261HBIN010608HBIN017582HBIN025375
Npass
NPC112438
Tcmid
27452315476960
Tcmsp
MOL004399MOL004409MOL007741
Sym Map
SMIT06326SMIT06335
Tcm Id
211208325
Pub Chem
1377052751391606654880055748394
Tcmbank
TCMBANKIN004177TCMBANKIN009257TCMBANKIN028136TCMBANKIN035241TCMBANKIN037855TCMBANKIN052832TCMBANKIN060170
Etcm Ingredient
4'-Methoxy-5-hydroxy-8-3,3-dimethylallyl-flavone-3-glucosyl-(1-2)rhamnoside-7-glucosideBaohuoside VIEpimedin C
Itcmdb Generated
ITX-INGREDIENT-20CD784101E8ITX-INGREDIENT-318338F19B5AITX-INGREDIENT-58EBDC9CFABFITX-INGREDIENT-672E9A1FFB5DITX-INGREDIENT-7ED21276D69EITX-INGREDIENT-87BEC8D86BFCITX-INGREDIENT-C91992E8FAE4

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
Alog P
01
In Ch I
InChI=1S/C39H50O19/c1-14(2)6-11-19-21(54-38-32(50)29(47)26(44)22(13-40)55-38)12-20(41)23-27(45)35(33(56-34(19)23)17-7-9-18(51-5)10-8-17)57-39-36(30(48)25(43)16(4)53-39)58-37-31(49)28(46)24(42)15(3)52-37/h6-10,12,15-16,22,24-26,28-32,36-44,46-50H,11,13H2,1-5H3/t15-,16-,22+,24-,25-,26+,28+,29-,30+,31+,32+,36+,37-,38+,39-/m0/s1InChI=1S/C39H50O19/c1-14(2)6-11-19-21(54-38-32(50)29(47)26(44)22(13-40)55-38)12-20(41)23-27(45)35(33(56-34(19)23)17-7-9-18(51-5)10-8-17)57-39-36(30(48)25(43)16(4)53-39)58-37-31(49)28(46)24(42)15(3)52-37/h6-10,12,15-16,22,24-26,28-32,36-44,46-50H,11,13H2,1-5H3/t15-,16-,22+,24-,25-,26+,28+,29-,30+,31+,32+,36+,37-,38+,39?/m0/s1
Mol Wt
822.8100000000007
Cas Id
110642-44-9
Smiles
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=C(C3=O)C(=CC(=C4CC=C(C)C)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC=C(C=C6)OC)C)O)O)O)O)O[C@@]1([H])(C([H])([H])O[H])O[C@@]([H])(Oc2c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(OC(c3c([H])c([H])c(OC([H])([H])[H])c([H])c3[H])=C(O[C@@]4([H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[ C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O5)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O4)C6=O)c6c([H])c2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H][C@]1([H])(O[H])[C@@]([H])(C([H])([H])O[H])O[C@@]([H])(Oc2c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(OC(c3c([H])c([H])c(C([H])([H])C([H])([H])[H])c([H])c3[H])=C(O[C@@]4([H])[C@@]([H])(O[ C@@]5([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])O5)[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])O4)C6=O)c6c(O[H])c2[H])[C@]([H])(O[H])[C@@]1([H])O[H]c1(OC([H])([H])[H])c([H])c([H])c(C2=C(O[C@]3([H])O[C@](C([H])([H])[H])([H])[C@@](O[C@]4(C([H])([H])[H])O[C@](C([H])([H])[H])([H])[C@@](O[H])([H])[C@](O[H])([H])[C@]4(O[H])[H])([H])[C@](O[H])([H])[C@]3 (O[H])[H])C(=O)c5c(c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(O[C@]6(C([H])([H])[H])O[C@@](C([H])([H])O[H])([H])[C@](O[H])([H])[C@@](O[H])([H])[C@]6(O[H])[H])c([H])c5O[H])O2)c([H])c1[H]c1(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O2)c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(OC(c3c([H])c([H])c(OC([H])([H])[H])c([H])c3[H])=C(O[ C@@]4([H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O5)C([H])([H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O4)C6=O)c6c([H])c1[H]c1([H])c([H])c(C2=C(O[C@]3([H])O[C@](C([H])([H])[H])([H])[C@@](O[H])([H])[C@@]([H])(O[H])[C@]3(O[C@]4([H])O[C@](C([H])([H])[H])([H])[C@@](O[H])([H])[C@](O[H])([H])[C@]4(O[H])[H])[H])C(=O)c5c(c(C([H])( [H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(O[C@]6([H])O[C@@](C([H])([H])O[H])([H])[C@](O[H])([H])[C@@](O[H])([H])[C@]6(O[H])[H])c([H])c5O[H])O2)c([H])c([H])c1OC([H])([H])[H]
37 Flag
37
C Count
394041
Mol Log P
-1.080299999999998
N Count
0
O Count
1819
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
ULZLIYVOYYQJRO-JIYCBSMMSA-NULZLIYVOYYQJRO-OODDLEJHSA-N
Ob Score
16.29483616.2948362316.294836;4.93561216.2954.935611874.936
Suppress
0
Tcm Name
朝鲜淫羊藿;川滇淫羊藿;川鄂淫羊藿;粗毛淫羊藿;箭叶淫羊藿;黔岭淫羊藿;柔毛淫羊藿;天平山淫羊藿;巫山淫羊藿;淫羊藿淫羊藿箭叶淫羊藿
Tcm Name2
CHAO XIAN YIN YANG HUO; CHUAN DIAN YIN YANG HUO; CHUAN E YIN YANG HUO; CU MAO YIN YANG HUO;JIAN YE YIN YANG HUO; QIAN LING YIN YANG HUO; ROU MAO YIN YANG HUO; TIAN PING SHAN YIN YANG;HUO; WU SHAN YIN YANG HUO; YIN YANG HUO; C MAO YIN YANG HUOEpimedium koreanumJIAN YE YIN YANG HUO
Mol2 Path
/TCM_database/13.补虚药(60-62)/2.补阳药(22-23)/淫羊藿/Epimedium koreanum/structure/Baohuoside VI.mol2/TCM_database/13.补虚药(60-62)/2.补阳药(22-23)/淫羊藿/Epimedium koreanum/structure/Epimedin C.mol2/TCM_database/13.补虚药(60-62)/2.补阳药(22-23)/淫羊藿/Epimedium koreanum/structure/Epimedin C.mol2/TCM_database/2003_3d_all/2761.mol2/TCM_database/2003_3d_all/5406.mol2
Reference
2, 114, 540, 567, 623, 624, 660, 1521, 1784, 55082660
Num Hdonors
10
Tcm Name En
Epimedium HerbKorean Epimedium; David Epimedium; Farges Epimedium; Acuminatum Epimedium; Sagittate Epimedium; Thin-rhizome Epimedium; Pubescence Epimedium; Tianpingshan Epimedium*; Wushan Epimedium; Shorthorned EpimediumSagittate Epimedium
Level1 Name
13.补虚药(60-62)
Level2 Name
2.补阳药(22-23)
Num H Donors
10
Drug Likeness
0.103
Num Hacceptors
19
Level1 Name En
tonifying and replenishing medicinal
Level2 Name En
yang-tonifying medicinal
Isomeric Smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](OC2OC3=C(OC4=C(C3=O)C(=CC(=C4CC=C(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC=C(C=C6)OC)C)O)O)O)O)OC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](O[C@H]2OC3=C(OC4=C(C3=O)C(=CC(=C4CC=C(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC=C(C=C6)OC)C)O)O)O)O)O
Molecule Weight
790.89822.89
Num H Acceptors
1819
Canonical Smiles
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=C(C3=O)C(=CC(=C4CC=C(C)C)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC=C(C=C6)OC)C)O)O)O)O)O
Molecular Weight
822.290850.330
Molecular Volume
524528552
Molecular Weight
821822.8823851
Molecular Formula
C39H50O19C41H54O19
Molecular Formula
C39H50O17C39H50O19C40H52O18C41H54O19
Molecular Formula
C39H50O19
Num Rotatable Bonds
11
Num Rotatable Bonds
11
Molecular Polar Surface Area
284293
Fda Maximum Daily Dose (Fdamdd)
0.0000.0010.002
Quantitative Estimate Of Drug Likeness（Qed）
0.0900.1030.111