IngredientID 22923

Keioside

C28H32O16

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: 12Links: 25

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 22923
Core Entity Id: 28666
Source Entity Count: 1
Preferred Name: Keioside
Name En
Pubchem Id: 17751019
Smiles Canonical: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O
Molecular Formula: C28H32O16
Molecular Weight: 624.5480
Inchikey: UIDGLYUNOUKLBM-OPUWVCDQSA-N
Inchi: InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1
Isomeric Smiles: CC1[C@@H]([C@H](C([C@@H](O1)OCC2[C@H]([C@H](C([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O
Cas Id: 604-80-8
Ob Score: 3.8519
Mol Logp: -1.3841
Num H Donors: 9
Num H Acceptors: 16
Num Rotatable Bonds: 7
Drug Likeness: 0.1470
Polar Surface Area: 255.0000
Molecular Volume: 381.0000
Alogp: -1.0000

Names

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

Name

Isorhamnetin,3-O-Rutinoside

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Isorhamnetin-3-O-Beta-D-Rutinoside

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Narcissin

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Narcissoside

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Isorhamnetin,3-o-rutinoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Isorhamnetin-3-O-Beta-D-Rutinoside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Isorhamnetin-3-O-Β-Rutinoside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Isorhamnetin-3-o-beta-d-rutinoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Isorhamnetin-3-o-beta-d-rutinoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Isorhamnetin-3-o-beta-rutinoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Isorhamnetin-3-o-beta-rutinoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Isorhamnetin-3-o-rutinoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Keioside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Keioside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Keioside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Narcissin

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Narcissin

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Narcissin

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Narcissin

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Narcissoside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Narcissoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Narcissoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

isorhamnetin 3-O-rutinoside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

isorhamnetin-3-O-beta-D-rutinoside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

isorhamnetin-3-O-β-rutinoside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

isorhamnetin-3-o-beta-d-rutinoside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

keioside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

narcissin

Role

preferred

Source

TCMBank

Preferred

Yes

Name

宽叶香蒲 B

Role

TCM_name

Source

TCMBank

Preferred

Name

柴胡

Role

TCM_name

Source

TCMBank

Preferred

Name

水仙花;甘草

Role

TCM_name

Source

TCMBank

Preferred

Name

益母草

Role

TCM_name

Source

TCMBank

Preferred

Name

Bupleurum chinense

Role

TCM_name2

Source

TCMBank

Preferred

Name

KUAN YE XIANG PU

Role

TCM_name2

Source

TCMBank

Preferred

Name

SHUI XIAN HUA;GAN CAO

Role

TCM_name2

Source

TCMBank

Preferred

Name

Broadleaf Cattail Pollen

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Chinese Narcissus Flower;Ural Licorice

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Radix Bupleuri

Role

TCM_name_en

Source

TCMBank

Preferred

Name

YI MU CAO

Role

TCM_name_en

Source

TCMBank

Preferred

Name

107740-46-5

Role

alias

Source

HERB_v2

Preferred

Name

107740-46-5

Role

alias

Source

itcmdb_public

Preferred

Name

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

Role

alias

Source

HERB_v2

Preferred

Name

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-.alpha.-D-mannopyranosyl)-.beta.-D-glucopyranoside

Role

alias

Source

SymMap_v2

Preferred

Name

604-80-8

Role

alias

Source

HERB_v2

Preferred

Name

604-80-8

Role

alias

Source

itcmdb_public

Preferred

Name

62249-59-6

Role

alias

Source

itcmdb_public

Preferred

Name

62249-59-6

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL414560

Role

alias

Source

SymMap_v2

Preferred

Name

CHEMBL4536358

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL4536358

Role

alias

Source

HERB_v2

Preferred

Name

Isorhamnetin 3-O-alpha-L-rhamnopyranosyl-(1-6)-bata-D-glucopyranoside

Role

alias

Source

TCMBank

Preferred

Name

Isorhamnetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside

Role

alias

Source

itcmdb_public

Preferred

Name

Isorhamnetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside

Role

alias

Source

HERB_v2

Preferred

Name

Isorhamnetin 3-O-rutinoside

Role

alias

Source

HERB_v2

Preferred

Name

Isorhamnetin 3-O-rutinoside

Role

alias

Source

itcmdb_public

Preferred

Name

Isorhamnetin 3-rhamnoglucoside

Role

alias

Source

HERB_v2

Preferred

Name

Isorhamnetin 3-rhamnoglucoside

Role

alias

Source

itcmdb_public

Preferred

Name

Isorhamnetin 3-robinobioside

Role

alias

Source

itcmdb_public

Preferred

Name

Isorhamnetin 3-robinobioside

Role

alias

Source

HERB_v2

Preferred

Name

Isorhamnetin 3-rutinoside

Role

alias

Source

itcmdb_public

Preferred

Name

Isorhamnetin 3-rutinoside

Role

alias

Source

HERB_v2

Preferred

Name

Isorhamnetin-3-O-rutinoside

Role

alias

Source

SymMap_v2

Preferred

Name

Isorhamnetin-3-rutinoside

Role

alias

Source

SymMap_v2

Preferred

Name

Isorhamnetin-Rha-Gal

Role

alias

Source

itcmdb_public

Preferred

Name

Isorhamnetin-Rha-Gal

Role

alias

Source

HERB_v2

Preferred

Name

Isprhamnetin-3-rutinoside

Role

alias

Source

HERB_v2

Preferred

Name

Isprhamnetin-3-rutinoside

Role

alias

Source

itcmdb_public

Preferred

Name

LMPK12110586

Role

alias

Source

SymMap_v2

Preferred

Name

LMPK12110586

Role

alias

Source

TCMBank

Preferred

Name

MEGxp0_000109

Role

alias

Source

HERB_v2

Preferred

Name

MEGxp0_000109

Role

alias

Source

itcmdb_public

Preferred

Name

Narcissin

Role

alias

Source

TCMBank

Preferred

Name

Narcissin

Role

alias

Source

HERB_v2

Preferred

Name

Narcissin

Role

alias

Source

itcmdb_public

Preferred

Name

Narcissin

Role

alias

Source

SymMap_v2

Preferred

Name

Narcissin Flavonol

Role

alias

Source

HERB_v2

Preferred

Name

Narcissin Flavonol

Role

alias

Source

itcmdb_public

Preferred

Name

Narcissoside

Role

alias

Source

itcmdb_public

Preferred

Name

Narcissoside

Role

alias

Source

HERB_v2

Preferred

Name

SCHEMBL1305418

Role

alias

Source

SymMap_v2

Preferred

Name

SCHEMBL1305421

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL1305421

Role

alias

Source

SymMap_v2

Preferred

Name

UIDGLYUNOUKLBM-OPUWVCDQSA-N

Role

alias

Source

SymMap_v2

Preferred

Name

UNII-N4AX11L1TF

Role

alias

Source

itcmdb_public

Preferred

Name

UNII-N4AX11L1TF

Role

alias

Source

HERB_v2

Preferred

Name

i-Rha-gal

Role

alias

Source

itcmdb_public

Preferred

Name

i-Rha-gal

Role

alias

Source

HERB_v2

Preferred

Name

isorhamnetin-3-O-β-D-rutinoside

Role

alias

Source

TCMBank

Preferred

Name

1.解表药(28-28)

Role

level1_name

Source

TCMBank

Preferred

Name

8.活血化瘀药(33-33)

Role

level1_name

Source

TCMBank

Preferred

Name

blood-activating and stasis-resolving medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

exterior-releasing medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

2.发散风热药(12-12)

Role

level2_name

Source

TCMBank

Preferred

Name

2.活血调经药(11-11)

Role

level2_name

Source

TCMBank

Preferred

Name

blood-activating menstruationregulating medicinal

Role

level2_name_en

Source

TCMBank

Preferred

Name

wind-heat dispersing

Role

level2_name_en

Source

TCMBank

Preferred

Name

Iso-Rhamnetin 3-O-Robinobioside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Iso-rhamnetin 3-o-robinobioside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Isorhamnetin-3-O-robinobioside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

藏红花

Role

TCM_name

Source

TCMBank

Preferred

Name

ZANG HONG HUA

Role

TCM_name2

Source

TCMBank

Preferred

Name

Saffron Crocus Stigma

Role

TCM_name_en

Source

TCMBank

Preferred

Name

3-(6-O-alpha-L-Rhamnopyranosyl-beta-D-galactopyranosyloxy)-3'-methoxy-4',5,7-trihydroxyflavone

Role

alias

Source

itcmdb_public

Preferred

Name

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(((3R,4S,5R,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

Role

alias

Source

itcmdb_public

Preferred

Name

53584-69-3

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:132898

Role

alias

Source

itcmdb_public

Preferred

Name

DTXSID70968360

Role

alias

Source

itcmdb_public

Preferred

Name

Isorhamnetin 3-O-robinobioside

Role

alias

Source

HERB_v2

Preferred

Aliases

Additional names normalized into the restored final schema.

Isorhamnetin,3-O-RutinosideIsorhamnetin-3-O-Beta-D-RutinosideNarcissinNarcissosideIsorhamnetin-3-O-Β-RutinosideIsorhamnetin-3-o-beta-rutinosideIsorhamnetin-3-o-rutinosideisorhamnetin 3-O-rutinoside宽叶香蒲 B柴胡水仙花;甘草益母草Bupleurum chinenseKUAN YE XIANG PUSHUI XIAN HUA;GAN CAOBroadleaf Cattail PollenChinese Narcissus Flower;Ural LicoriceRadix BupleuriYI MU CAO107740-46-55,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-.alpha.-D-mannopyranosyl)-.beta.-D-glucopyranoside604-80-862249-59-6CHEMBL414560CHEMBL4536358Isorhamnetin 3-O-alpha-L-rhamnopyranosyl-(1-6)-bata-D-glucopyranosideIsorhamnetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranosideIsorhamnetin 3-rhamnoglucosideIsorhamnetin 3-robinobiosideIsorhamnetin 3-rutinosideIsorhamnetin-3-rutinosideIsorhamnetin-Rha-GalIsprhamnetin-3-rutinosideLMPK12110586MEGxp0_000109Narcissin FlavonolSCHEMBL1305418SCHEMBL1305421UIDGLYUNOUKLBM-OPUWVCDQSA-NUNII-N4AX11L1TFi-Rha-galisorhamnetin-3-O-β-D-rutinoside1.解表药(28-28)8.活血化瘀药(33-33)blood-activating and stasis-resolving medicinalexterior-releasing medicinal2.发散风热药(12-12)2.活血调经药(11-11)blood-activating menstruationregulating medicinalwind-heat dispersingIso-Rhamnetin 3-O-RobinobiosideIsorhamnetin-3-O-robinobioside藏红花ZANG HONG HUASaffron Crocus Stigma3-(6-O-alpha-L-Rhamnopyranosyl-beta-D-galactopyranosyloxy)-3'-methoxy-4',5,7-trihydroxyflavone5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(((3R,4S,5R,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one53584-69-3CHEBI:132898DTXSID70968360Isorhamnetin 3-O-robinobioside

Cross References

Trusted external identifiers retained for this final record.

Cas

604-80-8

Herb

HBIN031149HBIN031151HBIN031163HBIN031164HBIN032127HBIN036347HBIN036349HBIN031161

Npass

NPC211913NPC226087NPC272085NPC294815NPC115170

Tcmid

116661218615257361843693711665

Tcmsp

MOL001423MOL001424MOL003686MOL010261MOL007931

Sym Map

SMIT01069SMIT01523SMIT03850SMIT05718SMIT11321SMIT24741SMIT09277

Tcm Id

2425

Pub Chem

177510194414397744258019459339315481663548724962230695491808

Tcmbank

TCMBANKIN006434TCMBANKIN015772TCMBANKIN024819TCMBANKIN038494TCMBANKIN040704TCMBANKIN042123TCMBANKIN050957TCMBANKIN060265TCMBANKIN022175

Etcm Ingredient

KeiosideNarcissinisorhamnetin 3-O-rutinosideisorhamnetin,3-o-rutinosideisorhamnetin-3-O-β-rutinosideisorhamnetin-3-o-beta-d-rutinosideIsorhamnetin-3-O-robinobioside

Itcmdb Generated

ITX-INGREDIENT-497E7B93351BITX-INGREDIENT-4DE7A2EA2EC1ITX-INGREDIENT-8478C3C84B30ITX-INGREDIENT-A553291EAEECITX-INGREDIENT-AD372A77E53EITX-INGREDIENT-BCAC5E44624AITX-INGREDIENT-BF0791EAF00BITX-INGREDIENT-C0FC5B251E7BITX-INGREDIENT-C79FFD077C79ITX-INGREDIENT-D5F0F0CD7244ITX-INGREDIENT-8156F52F48FCITX-INGREDIENT-AC63B6C1863B

Attributes

Merged source attributes and domain-specific metadata.

Type

Blood ingredients,Other ingredientsOther ingredients

Alog P

-1

In Ch I

InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21+,22-,23+,24+,27+,28-/m0/s1InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9?,16?,18-,19+,21+,22+,23?,24?,27+,28-/m0/s1

Mol Wt

624.5480000000007

Smiles

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O[C@]1([H])(O[H])[C@@]([H])(C([H])([H])O[C@@]2([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O2)O[C@@]([H])(OC3=C(c4c([H])c([H])c(OC([H])([H])[H])c(O[H])c4[H])Oc(c([H])c(O[ H])c([H])c5O[H])c5C3=O)[C@]([H])(O[H])[C@@]1([H])O[H]c1([H])c(OC(c2c([H])c(OC([H])([H])[H])c(O[H])c([H])c2[H])=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[C@]4([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]4([H])O[H])[C@@]([H])(O[H])[C@]([ H])(O[H])[C@@]3([H])O[H])C5=O)c5c(O[H])c([H])c1O[H]c1([H])c([H])c(C2=C(O[C@@]3([H])[C@@]([H])([C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[C@]4([H])[C@]([H])([C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])O4)O[H])O3)O[H])C(=O)c(c(c ([H])c(O[H])c5[H])O[H])c5O2)c([H])c(OC([H])([H])[H])c1O[H]

37 Flag

C Count

Mol Log P

-1.3841

N Count

O Count

P Count

S Count

Version

v1,v2v2

In Ch Ikey

UIDGLYUNOUKLBM-GEBJFKNCSA-NUIDGLYUNOUKLBM-ZJNQJRHWSA-NUIDGLYUNOUKLBM-ZLADREHTSA-N

Ob Score

3.8519354443.8525.0937426575.0937435.094

Suppress

Tcm Name

宽叶香蒲 B柴胡水仙花;甘草益母草

Tcm Name2

Bupleurum chinenseKUAN YE XIANG PUSHUI XIAN HUA;GAN CAO

Mol2 Path

/TCM_database/1.解表药(28-28)/2.发散风热药(12-12)/柴胡/Structure/Bupleurum chinense/isorhamnetin-3-O-beta-D-rutinoside.mol2/TCM_database/2003_3d_all/6159.mol2/TCM_database/2007_3d_all/11669.mol2/TCM_database/8.活血化瘀药(33-33)/2.活血调经药(11-11)/益母草/Structures/isorhamnetin 3-O-rutinoside.mol2

Reference

2, 3026, 3551, 5084, 52396, 231, 660

Num Hdonors

Tcm Name En

Broadleaf Cattail PollenChinese Narcissus Flower;Ural Licorice Radix BupleuriYI MU CAO

Level1 Name

1.解表药(28-28)8.活血化瘀药(33-33)

Level2 Name

2.发散风热药(12-12)2.活血调经药(11-11)

Num H Donors

Drug Likeness

0.147

Num Hacceptors

Level1 Name En

blood-activating and stasis-resolving medicinalexterior-releasing medicinal

Level2 Name En

blood-activating menstruationregulating medicinalwind-heat dispersing

Isomeric Smiles

CC1[C@@H]([C@H](C([C@@H](O1)OCC2[C@H]([C@H](C([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)OC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)OC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O

Molecule Weight

624.545624.6

Num H Acceptors

Canonical Smiles

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)O)O)O)O)O)O

Herb Alias Names

NarcissosideNarcissin604-80-8Isorhamnetin 3-rutinosideNarcissin FlavonolIsorhamnetin-3-O-rutinosideIsorhamnetin 3-O-rutinosideIsorhamnetin 3-rhamnoglucosideIsprhamnetin-3-rutinosideUNII-N4AX11L1TF

Molecular Weight

624.170

Molecular Volume

381

Molecular Weight

624.5 g/mol624.54625

Molecule Formula

C28H32O16

Molecular Formula

C28H32O16

Molecular Formula

C28H32O16

Molecular Formula

C28H32O16

Num Rotatable Bonds

Molecular Polar Surface Area

255

Fda Maximum Daily Dose (Fdamdd)

0.0060.0090.0120.072

Quantitative Estimate Of Drug Likeness（Qed）

0.147