ITCMDBv1
IngredientID 11753

Astragalosid

C41H68O14

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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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Experiment: 1Herb: 12Ingredient: 1Target: 12Links: 25
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
11753
Core Entity Id
16232
Source Entity Count
1
Preferred Name
Astragalosid
Name En
Pubchem Id
122130767
Smiles Canonical
C1([H])([H])C([H])([H])[C@]2([C@](C2([H])[H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(C(C([H])([H])[H])(O[H])C([H])([H])[H])O3)[C@@] ([H])(O[H])C4([H])[H])[C@@]45C([H])([H])[H])[C@@]5([H])C([H])([H])[C@]6([H])O[C@]([H])([C@@]([H])(O[H])[C@]([H])(O[H])[C@@]7([H])O[H])O[C@@]7([H])C([H])([H])O[H])[C@@]6([H])C(C([H])([H])[H])(C([H])([H ])[H])[C@@]1([H])O[C@@]8([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O8
Molecular Formula
C41H68O14
Molecular Weight
784.9810
Inchikey
QMNWISYXSJWHRY-OVTNMLBFSA-N
Inchi
InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33-,34+,37+,38-,39-,40-,41+/m0/s1
Isomeric Smiles
C[C@@]12CC[C@]34C[C@]35CC[C@H](C([C@H]5[C@@H](C[C@@H]4C1(C[C@H]([C@H]2[C@@]6(CC[C@@H](O6)C(C)(C)O)C)O)C)O[C@@H]7C([C@@H](C([C@@H](O7)CO)O)O)O)(C)C)O[C@@H]8[C@H]([C@@H]([C@H](CO8)O)O)O
Cas Id
Ob Score
17.7410
Mol Logp
0.7241
Num H Donors
9
Num H Acceptors
14
Num Rotatable Bonds
7
Drug Likeness
0.1620
Polar Surface Area
228.0000
Molecular Volume
544.0000
Alogp
0.0000

Names

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

Name
Astragalo Side Iv
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Astragalosid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Astragalosideiv_Qt
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Astramembrannin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Astramembrannin I
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Astragalo Side Iv
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Astragalosid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Astragalosid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Astragalosid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Astragaloside IV
Role
preferred
Source
TCMBank
Preferred
Yes
Name
AstragalosideIV
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
AstragalosideIV_qt
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Astragalosideiv
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Astragalosideiv
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Astragalosideiv_Qt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Astragalosideiv_qt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Astragalosideiv_qt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Astramembrannin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Astramembrannin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Astramembrannin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Astramembrannin I
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Astramembrannin I
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Astramembrannin I
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Astramembrannin i
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Astramembrannin i
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Astrasieversianin xiv
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Astrasieversianin xiv
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
astrasieversianin xiv
Role
preferred
Source
TCMBank
Preferred
Yes
Name
当归
Role
TCM_name
Source
TCMBank
Preferred
No
Name
绵毛黄芪
Role
TCM_name
Source
TCMBank
Preferred
No
Name
黄耆
Role
TCM_name
Source
TCMBank
Preferred
No
Name
黄芪(膜荚黄芪)
Role
TCM_name
Source
TCMBank
Preferred
No
Name
黄芪(膜荚黄芪); 蒙古黄芪; 黄耆; 油叶黄芪
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUANG QI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
HUANG QI; MENG GU HUANG QI; YOU YE HUANG QI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
MIAN MAO HUANG QI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
蒙古黄耆Astragalus mongholicus
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Angelica sinensis
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Astragalus root
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Membranous Milkvetch
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Membranous Milkvetch; Mongolian Milkvetch; Oily-leaf Milkvetch*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Sieversia Milkvetch
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
1J6XA9YCFV
Role
alias
Source
HERB_v2
Preferred
No
Name
1J6XA9YCFV
Role
alias
Source
itcmdb_public
Preferred
No
Name
3A592W8XKE
Role
alias
Source
HERB_v2
Preferred
No
Name
3A592W8XKE
Role
alias
Source
itcmdb_public
Preferred
No
Name
83207-58-3
Role
alias
Source
HERB_v2
Preferred
No
Name
83207-58-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
84687-43-4
Role
alias
Source
HERB_v2
Preferred
No
Name
84687-43-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC-4492
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC-4492
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L3V2X
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS015962160
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS015962160
Role
alias
Source
HERB_v2
Preferred
No
Name
AN-36113
Role
alias
Source
SymMap_v2
Preferred
No
Name
ASTRAGALOSIDE IV [USP-RS]
Role
alias
Source
HERB_v2
Preferred
No
Name
ASTRAGALOSIDE IV [USP-RS]
Role
alias
Source
itcmdb_public
Preferred
No
Name
ASTRAVERSIANIN XIV
Role
alias
Source
HERB_v2
Preferred
No
Name
ASTRAVERSIANIN XIV
Role
alias
Source
itcmdb_public
Preferred
No
Name
Astragalin A
Role
alias
Source
HERB_v2
Preferred
No
Name
Astragalin A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Astragaloside A
Role
alias
Source
HERB_v2
Preferred
No
Name
Astragaloside IV
Role
alias
Source
itcmdb_public
Preferred
No
Name
Astragaloside IV
Role
alias
Source
HERB_v2
Preferred
No
Name
Astragaloside-A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Astragalosides
Role
alias
Source
HERB_v2
Preferred
No
Name
Astragalosides
Role
alias
Source
itcmdb_public
Preferred
No
Name
Astrasieversianin XIV
Role
alias
Source
itcmdb_public
Preferred
No
Name
Astrasieversianin XIV
Role
alias
Source
HERB_v2
Preferred
No
Name
CCG-214125
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCG-214125
Role
alias
Source
HERB_v2
Preferred
No
Name
CCG-231223
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCG-231223
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:65457
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:65457
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclosiversioside F
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclosiversioside F
Role
alias
Source
HERB_v2
Preferred
No
Name
SR-05000002780
Role
alias
Source
itcmdb_public
Preferred
No
Name
SR-05000002780
Role
alias
Source
HERB_v2
Preferred
No
Name
SR-05000002780-1
Role
alias
Source
HERB_v2
Preferred
No
Name
SR-05000002780-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-1J6XA9YCFV
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-1J6XA9YCFV
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-3A592W8XKE
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-3A592W8XKE
Role
alias
Source
HERB_v2
Preferred
No
Name
astramembranninI_qt
Role
alias
Source
itcmdb_public
Preferred
No
Name
astramembranninI_qt
Role
alias
Source
HERB_v2
Preferred
No
Name
astramembranninI_qt
Role
alias
Source
TCMBank
Preferred
No
Name
膜荚黄耆Astragalus membranaceus
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
1.补气药(15-15)
Role
level2_name
Source
TCMBank
Preferred
No
Name
3.补血药 (6-7)
Role
level2_name
Source
TCMBank
Preferred
No
Name
blood-tonifying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
qi-tonifying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

Astragalo Side IvAstragalosideiv_QtAstramembranninAstramembrannin IAstragaloside IVAstragalosideIVAstrasieversianin xiv当归绵毛黄芪黄耆黄芪(膜荚黄芪)黄芪(膜荚黄芪); 蒙古黄芪; 黄耆; 油叶黄芪HUANG QIHUANG QI; MENG GU HUANG QI; YOU YE HUANG QIMIAN MAO HUANG QI蒙古黄耆Astragalus mongholicusAngelica sinensisAstragalus rootMembranous MilkvetchMembranous Milkvetch; Mongolian Milkvetch; Oily-leaf Milkvetch*Sieversia Milkvetch(2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol1J6XA9YCFV3A592W8XKE83207-58-384687-43-4AC-4492AC1L3V2XAKOS015962160AN-36113ASTRAGALOSIDE IV [USP-RS]ASTRAVERSIANIN XIVAstragalin AAstragaloside AAstragaloside-AAstragalosidesCCG-214125CCG-231223CHEBI:65457Cyclosiversioside FSR-05000002780SR-05000002780-1UNII-1J6XA9YCFVUNII-3A592W8XKEastramembranninI_qt膜荚黄耆Astragalus membranaceus13.补虚药(60-62)tonifying and replenishing medicinal1.补气药(15-15)3.补血药 (6-7)blood-tonifying medicinalqi-tonifying medicinal

Cross References

Trusted external identifiers retained for this final record.

Cas
83207-58-3
Herb
HBIN017222HBIN017230HBIN017231HBIN017245HBIN017246HBIN017251
Npass
NPC97241
Tcmid
1939194519482442633093
Tcmsp
MOL000409MOL000410
Sym Map
SMIT02130SMIT03018SMIT03019SMIT14408SMIT14413SMIT22454SMIT22455
Tcm Id
651965206529
Pub Chem
122130767122173189122361866126968937129316822131632366131665145132399062134694234137706357139432971394329914615987015869424720993450061014678381650012253486398714639447478753677519853
Tcmbank
TCMBANKIN000223TCMBANKIN003347TCMBANKIN017671TCMBANKIN019300TCMBANKIN051999TCMBANKIN052061TCMBANKIN059471
Etcm Ingredient
Astragaloside IVAstragalosideIVAstramembrannin I
Itcmdb Generated
ITX-INGREDIENT-202516468782ITX-INGREDIENT-4F7E8BACDCDBITX-INGREDIENT-5A14D5F51AECITX-INGREDIENT-8011CE7BB789ITX-INGREDIENT-A44C8242B50BITX-INGREDIENT-B109BC644BE2ITX-INGREDIENT-B3FF6A83CD45ITX-INGREDIENT-CBE650BF891DITX-INGREDIENT-DCC04F2E11EEITX-INGREDIENT-FACA7FAAB29F

Attributes

Merged source attributes and domain-specific metadata.

Type
Blood ingredientsBlood ingredients,Other ingredientsOther ingredients
Alog P
0
In Ch I
InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33-,34+,37+,38-,39-,40-,41+/m0/s1InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34+,37+,38-,39+,40-,41+/m0/s1InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24-,25-,26-,27?,28-,29+,30?,31-,32-,33-,34+,37+,38?,39+,40-,41+/m1/s1InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20+,21-,22+,23?,24-,25-,26-,27+,28-,29+,30+,31-,32?,33-,34+,37+,38-,39+,40-,41+/m0/s1
Mol Wt
784.9810000000006
Smiles
C1([H])([H])C([H])([H])[C@]2([C@](C2([H])[H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(C(C([H])([H])[H])(O[H])C([H])([H])[H])O3)[C@@] ([H])(O[H])C4([H])[H])[C@@]45C([H])([H])[H])[C@@]5([H])C([H])([H])[C@]6([H])O[C@]([H])([C@@]([H])(O[H])[C@]([H])(O[H])[C@@]7([H])O[H])O[C@@]7([H])C([H])([H])O[H])[C@@]6([H])C(C([H])([H])[H])(C([H])([H ])[H])[C@@]1([H])O[C@@]8([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O8CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C[C@@]1([H])(O[H])[C@]([H])(O[H])C([H])([H])O[C@@]([H])(O[C@]2([H])C([H])([H])C([H])([H])[C@@]3([C@@](C3([H])[H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@@]4(C([H])([H])[H])C([H])([H]) C([H])([H])[C@]([H])(C(O[H])(C([H])([H])[H])C([H])([H])[H])O4)[C@@]([H])(O[H])C5([H])[H])[C@@]56C([H])([H])[H])[C@@]6([H])C([H])([H])[C@@]7([H])O[C@@]8([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H ])[C@@]([H])(C([H])([H])O[H])O8)[C@@]7([H])C2(C([H])([H])[H])C([H])([H])[H])[C@]1([H])O[H][C@]1([H])(O[H])C([H])([H])O[C@@]([H])(O[C@@]2([H])C([H])([H])C([H])([H])[C@]3([C@](C3([H])[H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]( [H])(C(C([H])([H])[H])(O[H])C([H])([H])[H])O4)[C@@]([H])(O[H])C5([H])[H])[C@@]56C([H])([H])[H])[C@@]6([H])C([H])([H])[C@]7([H])O[C@@]8([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H ])([H])O[H])O8)[C@@]7([H])C2(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]1([H])O[H]
37 Flag
37
C Count
41
Mol Log P
0.7241000000000035
N Count
0
O Count
14
P Count
0
S Count
0
Version
v1,v2v2
In Ch Ikey
QMNWISYXSJWHRY-AUJDEUPOSA-NQMNWISYXSJWHRY-OVTNMLBFSA-NQMNWISYXSJWHRY-XWJCTJPOSA-NQMNWISYXSJWHRY-YLNUDOOFSA-N
Ob Score
17.74117.741486297.0728427087.0728437.073
Suppress
0
Tcm Name
当归绵毛黄芪黄耆黄芪(膜荚黄芪)黄芪(膜荚黄芪); 蒙古黄芪; 黄耆; 油叶黄芪
Tcm Name2
HUANG QIHUANG QI; MENG GU HUANG QI; YOU YE HUANG QIMIAN MAO HUANG QI蒙古黄耆Astragalus mongholicus
Mol2 Path
/TCM_database/13.补虚药(60-62)/1.补气药(15-15)/黄耆/蒙古黄耆Astragalus mongholicus/structure/3D/Astragaloside IV.mol2/TCM_database/13.补虚药(60-62)/3.补血药 (6-7)/当归/structure/3D/Astragaloside IV.mol2/TCM_database/2003_3d_all/713.mol2/TCM_database/2007_3d_all/01945.mol2/TCM_database/2007_3d_all/01948.mol2
Reference
2, 660, 1079, 1080, 1585, 1586, 5285, 5501, 5508658660
Num Hdonors
9
Tcm Name En
Angelica sinensisAstragalus rootMembranous MilkvetchMembranous Milkvetch; Mongolian Milkvetch; Oily-leaf Milkvetch*Sieversia Milkvetch
Level1 Name
13.补虚药(60-62)
Level2 Name
1.补气药(15-15)3.补血药 (6-7)
Num H Donors
9
Drug Likeness
0.162
Num Hacceptors
14
Level1 Name En
tonifying and replenishing medicinal
Level2 Name En
blood-tonifying medicinalqi-tonifying medicinal
Isomeric Smiles
C[C@@]12CC[C@]34C[C@]35CC[C@H](C([C@H]5[C@@H](C[C@@H]4C1(C[C@H]([C@H]2[C@@]6(CC[C@@H](O6)C(C)(C)O)C)O)C)O[C@@H]7C([C@@H](C([C@@H](O7)CO)O)O)O)(C)C)O[C@@H]8[C@H]([C@@H]([C@H](CO8)O)O)OC[C@]12CC[C@@]34C[C@@]35CC[C@@H](C(C5[C@H](CC4[C@@]1(C[C@@H]([C@@H]2[C@]6(CC[C@H](O6)C(C)(C)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)OC[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C@H]4[C@@]1(C[C@@H]([C@@H]2[C@@]6(CC[C@@H](O6)C(C)(C)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)OC[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C@H]4[C@@]1(C[C@@H]([C@@H]2[C@]6(CC[C@H](O6)C(C)(C)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O
Molecule Weight
622.93785.09
Num H Acceptors
14
Canonical Smiles
CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C
Herb Alias Names
Astragaloside IV84687-43-4AstragalosidesAKOS015962160AC-4492CCG-214125CCG-231223SR-05000002780SR-05000002780-1
Molecular Weight
784.460
Molecular Volume
544554
Molecular Weight
784.97785785 g/mol
Molecule Formula
C41H68O14
Molecular Formula
C41H68O14
Molecular Formula
C41H68O14
Molecular Formula
C41H68O14
Num Rotatable Bonds
7
Num Rotatable Bonds
7
Molecular Polar Surface Area
228
Fda Maximum Daily Dose (Fdamdd)
0.6910.8520.916
Quantitative Estimate Of Drug Likeness（Qed）
0.162