IngredientID 48604

Pinoresinol-4-o-glucoside

C26H32O11

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Herb: 12Ingredient: 1Target: 1Links: 13

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 48604
Core Entity Id: 91615
Source Entity Count: 1
Preferred Name: Pinoresinol-4-o-glucoside
Name En
Pubchem Id: 11168362
Smiles Canonical: COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)O
Molecular Formula: C26H32O11
Molecular Weight: 520.5310
Inchikey: QLJNETOQFQXTLI-JKUDBEEXSA-N
Inchi: InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1
Isomeric Smiles: COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC)O
Cas Id
Ob Score: 25.5570
Mol Logp: 0.6633
Num H Donors: 5
Num H Acceptors: 11
Num Rotatable Bonds: 7
Drug Likeness: 0.3490
Polar Surface Area: 157.0000
Molecular Volume: 334.0000
Alogp: 0.0000

Names

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

Name

Pinoresinol-4-O-Glucoside

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

(+)-Pinoresinol O--beta-D-glucopyranoside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

(+)-Pinoresinol-.beta-D-glucoside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

(+)-Pinoresinol-O-beta-D-glucopyranoside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(+)-Pinoresinolo-Β-D-Glucopyranoside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

(+)-pinoresinol-O-β-D-glucopyranoside

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

(+)-pinoresinol-beta-D-glucoside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(+)-pinoresinol-beta-d-glucoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

(+)-pinoresinol-beta-d-glucoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

(2S,3R,4S,5S,6R)-2-[4-[(1R,3As,4R,6As)-4-(4-Hydroxy-3-Methoxyphenyl)-1,3,3A,4,6,6A-Hexahydrofuro[4,3-C]Furan-1-Yl]-2-Methoxyphenoxy]-6-(Hydroxymethyl)Oxane-3,4,5-Triol

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

(2S,3R,4S,5S,6R)-2-[4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(2s,3r,4s,5s,6r)-2-[4-[(1r,3as,4r,6as)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

(2s,3r,4s,5s,6r)-2-[4-[(1r,3as,4r,6as)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

(?)-pinoresinol o-beta-d-glucopyranoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

(?)-pinoresinol o-beta-d-glucopyranoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

(−)-Pinoresinol O-β-D-glucopyranoside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Pinoresinol 4-O-β-D- glucopyranoside;(+)-pinoresinolo-β-d-glucopyranoside;(?)-pinoresinol o-β-d-glucopyranoside;(+)-Pinoresinol-.beta.-D-glucoside;pinoresinol-4-O-glucoside;pinoresinol-beta-d-glucoside

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Pinoresinol-4-O-Glucoside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Pinoresinol-4-o-glucoside

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Pinoresinol-4-o-glucoside

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Pinoresinol-Beta-D-Glucoside

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

日本安息香茎皮*

Role

TCM_name

Source

TCMBank

Preferred

Name

杜仲

Role

TCM_name

Source

TCMBank

Preferred

Name

连翘

Role

TCM_name

Source

TCMBank

Preferred

Name

DU ZHONG

Role

TCM_name2

Source

TCMBank

Preferred

Name

RI BEN AN XI XIANG JING PI

Role

TCM_name2

Source

TCMBank

Preferred

Name

Eucommia

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Forsythia suspense

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Japanese Snowbell Stem-bark

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(+)-pinoresinol-

Role

alias

Source

HERB_v2

Preferred

Name

(+)-pinoresinol-|A-D-glucoside

Role

alias

Source

itcmdb_public

Preferred

Name

(-)-Pinoresinol 4-O-glucoside

Role

alias

Source

HERB_v2

Preferred

Name

(-)-Pinoresinol 4-O-glucoside

Role

alias

Source

itcmdb_public

Preferred

Name

(-)-pinoresinol glucoside

Role

alias

Source

HERB_v2

Preferred

Name

(-)-pinoresinol glucoside

Role

alias

Source

itcmdb_public

Preferred

Name

(2S,3R,4S,5S,6R)-2-[4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxy-phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Role

alias

Source

TCMBank

Preferred

Name

(2S,3R,4S,5S,6R)-2-[4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol

Role

alias

Source

TCMBank

Preferred

Name

(2S,3R,4S,5S,6R)-2-[4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

Role

alias

Source

TCMBank

Preferred

Name

(2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol

Role

alias

Source

TCMBank

Preferred

Name

(2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Role

alias

Source

TCMBank

Preferred

Name

(2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

Role

alias

Source

TCMBank

Preferred

Name

(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6R,6aS)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Role

alias

Source

itcmdb_public

Preferred

Name

(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6R,6aS)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Role

alias

Source

HERB_v2

Preferred

Name

(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Role

alias

Source

itcmdb_public

Preferred

Name

(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Role

alias

Source

HERB_v2

Preferred

Name

24404-49-7

Role

alias

Source

HERB_v2

Preferred

Name

24404-49-7

Role

alias

Source

itcmdb_public

Preferred

Name

41607-20-9

Role

alias

Source

itcmdb_public

Preferred

Name

41607-20-9

Role

alias

Source

HERB_v2

Preferred

Name

69251-96-3

Role

alias

Source

HERB_v2

Preferred

Name

69251-96-3

Role

alias

Source

itcmdb_public

Preferred

Name

A-D-glucopyranoside

Role

alias

Source

HERB_v2

Preferred

Name

A-D-glucoside

Role

alias

Source

HERB_v2

Preferred

Name

AIDS-109049

Role

alias

Source

TCMBank

Preferred

Name

AKOS040762633

Role

alias

Source

itcmdb_public

Preferred

Name

AKOS040762633

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:188731

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:188731

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:81162

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:81162

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL1083218

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL1083218

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL573336

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL573336

Role

alias

Source

itcmdb_public

Preferred

Name

CS-0138762

Role

alias

Source

itcmdb_public

Preferred

Name

CS-0138762

Role

alias

Source

HERB_v2

Preferred

Name

Epipinoresinol-4'-O-

Role

alias

Source

HERB_v2

Preferred

Name

Epipinoresinol-4'-O-|A-D-glucoside

Role

alias

Source

itcmdb_public

Preferred

Name

Epipinoresinol-4-O-beta-D-glucoside

Role

alias

Source

HERB_v2

Preferred

Name

Epipinoresinol-4-O-beta-D-glucoside

Role

alias

Source

itcmdb_public

Preferred

Name

HY-N0946

Role

alias

Source

HERB_v2

Preferred

Name

HY-N0946

Role

alias

Source

itcmdb_public

Preferred

Name

HY-N7898

Role

alias

Source

itcmdb_public

Preferred

Name

HY-N7898

Role

alias

Source

HERB_v2

Preferred

Name

Pinoresinol 4-O-

Role

alias

Source

HERB_v2

Preferred

Name

Pinoresinol 4-O-beta-D-glucopyranoside

Role

alias

Source

itcmdb_public

Preferred

Name

Pinoresinol 4-O-beta-D-glucopyranoside

Role

alias

Source

HERB_v2

Preferred

Name

Pinoresinol 4-O-|A-D-glucopyranoside

Role

alias

Source

itcmdb_public

Preferred

Name

Pinoresinol-β-D-glucoside

Role

alias

Source

TCMBank

Preferred

Name

2.清热药(64-64)

Role

level1_name

Source

TCMBank

Preferred

Name

heat-clearing medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

3.清热解毒药(30-30)

Role

level2_name

Source

TCMBank

Preferred

Name

heat-clearing and detoxicating medicinal

Role

level2_name_en

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

(+)-Pinoresinol O--beta-D-glucopyranoside(+)-Pinoresinol-.beta-D-glucoside(+)-Pinoresinol-O-beta-D-glucopyranoside(+)-Pinoresinolo-Β-D-Glucopyranoside(+)-pinoresinol-O-β-D-glucopyranoside(+)-pinoresinol-beta-D-glucoside(2S,3R,4S,5S,6R)-2-[4-[(1R,3As,4R,6As)-4-(4-Hydroxy-3-Methoxyphenyl)-1,3,3A,4,6,6A-Hexahydrofuro[4,3-C]Furan-1-Yl]-2-Methoxyphenoxy]-6-(Hydroxymethyl)Oxane-3,4,5-Triol(?)-pinoresinol o-beta-d-glucopyranoside(−)-Pinoresinol O-β-D-glucopyranosidePinoresinol 4-O-β-D- glucopyranoside;(+)-pinoresinolo-β-d-glucopyranoside;(?)-pinoresinol o-β-d-glucopyranoside;(+)-Pinoresinol-.beta.-D-glucoside;pinoresinol-4-O-glucoside;pinoresinol-beta-d-glucosidePinoresinol-Beta-D-Glucoside日本安息香茎皮*杜仲连翘DU ZHONGRI BEN AN XI XIANG JING PIEucommiaForsythia suspenseJapanese Snowbell Stem-bark(+)-pinoresinol-(+)-pinoresinol-|A-D-glucoside(-)-Pinoresinol 4-O-glucoside(-)-pinoresinol glucoside(2S,3R,4S,5S,6R)-2-[4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxy-phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol(2S,3R,4S,5S,6R)-2-[4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol(2S,3R,4S,5S,6R)-2-[4-[(1R,3aS,4R,6aS)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol(2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol(2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol(2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6R,6aS)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol24404-49-741607-20-969251-96-3A-D-glucopyranosideA-D-glucosideAIDS-109049AKOS040762633CHEBI:188731CHEBI:81162CHEMBL1083218CHEMBL573336CS-0138762Epipinoresinol-4'-O-Epipinoresinol-4'-O-|A-D-glucosideEpipinoresinol-4-O-beta-D-glucosideHY-N0946HY-N7898Pinoresinol 4-O-Pinoresinol 4-O-beta-D-glucopyranosidePinoresinol 4-O-|A-D-glucopyranosidePinoresinol-β-D-glucoside2.清热药(64-64)heat-clearing medicinal3.清热解毒药(30-30)heat-clearing and detoxicating medicinal

Cross References

Trusted external identifiers retained for this final record.

Herb

HBIN006658HBIN040013HBIN040014HBIN040017HBIN040018HBIN040030HBIN040032

Npass

NPC22150NPC278324NPC38041

Tcmid

174011740224559354123542136336

Tcmsp

MOL003285MOL009011

Sym Map

SMIT02182SMIT05383SMIT10205SMIT17234SMIT26174

Tcm Id

1718

Pub Chem

1116836213916136486614

Tcmbank

TCMBANKIN006632TCMBANKIN013729TCMBANKIN014495TCMBANKIN028997TCMBANKIN061611

Etcm Ingredient

(+)-Pinoresinol O--beta-D-glucopyranoside(+)-Pinoresinol-.beta-D-glucoside(+)-pinoresinol-O-β-D-glucopyranoside

Itcmdb Generated

ITX-INGREDIENT-0AAC72909648ITX-INGREDIENT-1E34CF083091ITX-INGREDIENT-2AA89DBCAA44ITX-INGREDIENT-3CC4E6327D26ITX-INGREDIENT-64AA9C937ACAITX-INGREDIENT-7838094E96B2ITX-INGREDIENT-A787D7C6CC5DITX-INGREDIENT-E9BC831F0BB4

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

Alog P

In Ch I

InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20+,21+,22-,23+,24-,25+,26+/m0/s1InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20-,21-,22+,23-,24+,25+,26-/m1/s1

Mol Wt

520.5310000000002

Smiles

COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)OO1[C@]([H])(c2c([H])c([H])c(O[C@]3([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O3)c(OC([H])([H])[H])c2[H])[C@@]([H])(C([H])([H])O[C@]4([H])c5c([H])c([H])c(O[H])c(OC([H ])([H])[H])c5[H])[C@]4([H])C1([H])[H][C@]1([H])(c2c([H])c([H])c(O[H])c(OC([H])([H])[H])c2[H])[C@@]([H])(C([H])([H])O[C@]3([H])c4c([H])c(OC([H])([H])[H])c(O[C@]([H])(O[C@]5([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]5([H])O[H] )c([H])c4[H])[C@]3([H])C([H])([H])O1

37 Flag

C Count

Mol Log P

0.6632999999999993

N Count

O Count

P Count

S Count

Version

v1,v2v2

In Ch Ikey

QLJNETOQFQXTLI-JKUDBEEXSA-NQLJNETOQFQXTLI-OKSGBOEXSA-NQLJNETOQFQXTLI-WMYFGKAISA-N

Ob Score

25.55725.55700725.55700748

Suppress

Tcm Name

日本安息香茎皮*杜仲连翘

Tcm Name2

DU ZHONGRI BEN AN XI XIANG JING PI

Mol2 Path

/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/连翘/structure/(+)-pinoresinol-beta-D-glucoside.mol2/TCM_database/2003_3d_all/6910.mol2/TCM_database/2007_3d_all/17416.mol2

Reference

24787

Num Hdonors

Tcm Name En

EucommiaForsythia suspenseJapanese Snowbell Stem-bark

Level1 Name

2.清热药(64-64)

Level2 Name

3.清热解毒药(30-30)

Num H Donors

Drug Likeness

0.349

Num Hacceptors

Level1 Name En

heat-clearing medicinal

Level2 Name En

heat-clearing and detoxicating medicinal

Isomeric Smiles

COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC)OCOC1=C(C=CC(=C1)[C@H]2[C@@H]3CO[C@H]([C@@H]3CO2)C4=CC(=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC)OCOC1=C(C=CC(=C1)[C@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC)O

Molecule Weight

520.58

Num H Acceptors

Canonical Smiles

COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)O

Herb Alias Names

(-)-Pinoresinol 4-O-glucoside41607-20-9(-)-pinoresinol glucosideCHEBI:81162Epipinoresinol-4-O-beta-D-glucoside(2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6R,6aS)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol24404-49-7CHEMBL573336HY-N0946AKOS040762633

Molecular Weight

520.190

Molecular Volume

334

Molecular Weight

520.5 g/mol520.58521

Molecular Formula

C26H32O11

Molecular Formula

C26H32O11

Molecular Formula

C26H32O11

Num Rotatable Bonds

Molecular Polar Surface Area

157

Fda Maximum Daily Dose (Fdamdd)

0.0180.0360.043

Quantitative Estimate Of Drug Likeness（Qed）

0.349