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
- 44376
- Core Entity Id
- 87387
- Source Entity Count
- 1
- Preferred Name
- (2S,3S)- Pterosin S- 14- O- Β-Glucopyranoside
- Name En
- Pubchem Id
- 53463509
- Smiles Canonical
- Cc1cc2c(c(CO)c1CCOC1OC(CO)C(O)C(O)C1O)C(=O)C(C)C2O
- Molecular Formula
- C20H28O9
- Molecular Weight
- 412.4000
- Inchikey
- QUCQWGWEDCGWFJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H28O9/c1-8-5-11-14(16(24)9(2)15(11)23)12(6-21)10(8)3-4-28-20-19(27)18(26)17(25)13(7-22)29-20/h5,9,13,15,17-23,25-27H,3-4,6-7H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.4000
- Num H Donors
- 6
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 157.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2S,3S)- Pterosin S- 14- O- Β-Glucopyranoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2S,3S)- pterosin S- 14- O- β-glucopyranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT19800
Tcmbank
TCMBANKIN014799
Itcmdb Generated
ITX-INGREDIENT-57ACAEB91A84
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
CC1C(C2=CC(=C(C(=C2C1=O)CO)CCOC3C(C(C(C(O3)CO)O)O)O)C)O
Version
v2
Suppress
0
Molecular Formula
C20H28O9