Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 47314
- Core Entity Id
- 90325
- Source Entity Count
- 1
- Preferred Name
- (2S,3S)-1-Phenyl-2,3-Butanediol3-O-Β-D-Glucopyranoside
- Name En
- Pubchem Id
- 85358199
- Smiles Canonical
- CC(OC1OC(CO)C(O)C(O)C1O)C(O)Cc1ccccc1
- Molecular Formula
- C16H24O7
- Molecular Weight
- 328.1500
- Inchikey
- VXCHCEMGVYEDHV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H24O7/c1-9(11(18)7-10-5-3-2-4-6-10)22-16-15(21)14(20)13(19)12(8-17)23-16/h2-6,9,11-21H,7-8H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.4000
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 120.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2S,3S)-1-Phenyl-2,3-Butanediol3-O-Β-D-Glucopyranoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2S,3S)-1-Phenyl-2,3-butanediol 3-O-β-D-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2s,3s)-1-phenyl-2,3-butanediol3-o-β-d-glucopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(2S,3S)-1-Phenyl-2,3-butanediol 3-O-β-D-glucopyranoside
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN024776TCMBANKIN032004
Etcm Ingredient
(2S,3S)-1-Phenyl-2,3-butanediol 3-O-β-D-glucopyranoside
Itcmdb Generated
ITX-INGREDIENT-911205B7BC44ITX-INGREDIENT-DA4B31432141
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
CC(C(CC1=CC=CC=C1)O)OC2C(C(C(C(O2)CO)O)O)O
Version
v1,v2
Suppress
0
Tcm Name
野菊花
Tcm Name2
YE JU HUA
Mol2 Path
/TCM_database/2007_3d_all/17097.mol2
Reference
4214
Tcm Name En
Indian Wild Chrysanthemum Flower
Molecular Weight
328.150
Molecular Formula
C16H24O7
Fda Maximum Daily Dose (Fdamdd)
0.004
Quantitative Estimate Of Drug Likeness（Qed）
0.445