Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 45203
- Core Entity Id
- 88214
- Source Entity Count
- 1
- Preferred Name
- (2S,3S)-(−)-Taxifolin-3-O-Β-D-Glucopyra-Noside
- Name En
- Pubchem Id
- 72665003
- Smiles Canonical
- O=C1CC(c2cc(O)cc(O)c2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)c(O)c(O)c21
- Molecular Formula
- C21H22O12
- Molecular Weight
- 466.1100
- Inchikey
- DUGVPRQGQKRYOM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H22O12/c22-6-14-17(27)19(29)20(30)21(33-14)32-13-5-12-15(18(28)16(13)26)10(25)4-11(31-12)7-1-8(23)3-9(24)2-7/h1-3,5,11,14,17,19-24,26-30H,4,6H2
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.1000
- Num H Donors
- 8
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 207.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2S,3S)-(-)-Taxifolin-3-O-β-D-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2S,3S)-(−)-Taxifolin-3-O-Β-D-Glucopyra-Noside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2s,3s)-(?)-taxifolin-3-o-β-d-glucopyra-noside
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(2S,3S)-(-)-Taxifolin-3-O-β-D-glucopyranoside(2s,3s)-(?)-taxifolin-3-o-β-d-glucopyra-noside
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN017687
Etcm Ingredient
(2S,3S)-(-)-Taxifolin-3-O-β-D-glucopyranoside
Itcmdb Generated
ITX-INGREDIENT-014056FF7046
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
C1C(OC2=CC(=C(C(=C2C1=O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=CC(=C4)O)O
Version
v1
Suppress
0
Molecular Weight
466.110
Molecular Formula
C21H22O12
Fda Maximum Daily Dose (Fdamdd)
0.006
Quantitative Estimate Of Drug Likeness（Qed）
0.256