ITCMDBv1
IngredientID 6518

5,4'-dihydroxyflavone-6-c-beta-d-glycosyl-rhamnoside-7-o-glycoside

C33H40O19

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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: 5Ingredient: 1Links: 5
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
6518
Core Entity Id
10423
Source Entity Count
1
Preferred Name
5,4'-dihydroxyflavone-6-c-beta-d-glycosyl-rhamnoside-7-o-glycoside
Name En
Pubchem Id
162838485
Smiles Canonical
C[C@@H]1O[C@@H](Oc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Molecular Formula
C33H40O19
Molecular Weight
756.2100
Inchikey
QGGUFDHBNWTEDD-QSQYJJRPSA-N
Inchi
InChI=1S/C33H40O20/c1-10-29(52-33-27(45)24(42)21(39)18(9-35)51-33)25(43)28(46)31(47-10)53-30-16(49-32-26(44)23(41)20(38)17(8-34)50-32)7-15-19(22(30)40)13(37)6-14(48-15)11-2-4-12(36)5-3-11/h2-7,10,17-18,20-21,23-29,31-36,38-46H,8-9H2,1H3/t10-,17+,18+,20+,21+,23-,24-,25-,26+,27+,28+,29-,31-,32+,33-/m0/s1
Isomeric Smiles
Cas Id
Ob Score
Mol Logp
-2.4000
Num H Donors
12
Num H Acceptors
20
Num Rotatable Bonds
9
Drug Likeness
Polar Surface Area
324.0000
Molecular Volume
Alogp

Names

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

Name
5,4'-Dihydroxyflavone-6-C-beta-D-glycosyl-rhamnoside-7-O-glycoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5,4'-Dihydroxyflavone-6-C-beta-D-glycosyl-rhamnoside-7-O-glycoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,4'-dihydroxyflavone-6-c-beta-d-glycosyl-rhamnoside-7-o-glycoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5,4'-dihydroxyflavone-6-c-beta-d-glycosyl-rhamnoside-7-o-glycoside
Role
preferred
Source
itcmdb_public
Preferred
Yes

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN011051
Tcmid
259025895
Sym Map
SMIT15107
Tcmbank
TCMBANKIN011102
Etcm Ingredient
5,4'-Dihydroxyflavone-6-C-beta-D-glycosyl-rhamnoside-7-O-glycoside
Itcmdb Generated
ITX-INGREDIENT-86254623712FITX-INGREDIENT-A692A0B5286E

Attributes

Merged source attributes and domain-specific metadata.

Smiles
c1(O[C@@]2([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(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@]([H])(C([H])([H])[H])O2)c(O[C@@]4([H])[C@]([H])(O[H] )[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O4)c([H])c(OC(c5c([H])c([H])c(O[H])c([H])c5[H])=C([H])C6=O)c6c1O[H]
Tcm Name
黄精
Tcm Name2
HUANG JING
Mol2 Path
/TCM_database/2003_3d_all/2406.mol2
Reference
6
Tcm Name En
Siberian Solomonseal
Molecular Weight
756.210
Molecular Formula
C33H40O20
Molecular Formula
C33H40O20
Molecular Formula
C33H40O19
Fda Maximum Daily Dose (Fdamdd)
0.000
Quantitative Estimate Of Drug Likeness（Qed）
0.099