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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Desgalactotigonin

C30H48O3

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
15

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Desgalactotigonin
Molecular Formula
C30H48O3
Molecular Weight
No data
Canonical SMILES
CC(=CCCC(=C1CCC2(C1CCC3C2(CCC4C3(CCC(=O)C4(C)COO)C)C)C)C)C
Isomeric SMILES
CC(=CCC/C(=C\1/CC[C@]2(C1CCC3[C@@]2(CCC4[C@@]3(CCC(=O)C4(C)COO)C)C)C)/C)C
InChI
InChI=1S/C30H48O3/c1-20(2)9-8-10-21(3)22-13-17-29(6)23(22)11-12-25-27(4)16-15-26(31)28(5,19-33-32)24(27)14-18-30(25,29)7/h9,23-25,32H,8,10-19H2,1-7H3/b22-21-/t23?,24?,25?,27-,28?,29-,30-/m0/s1
Oral Bioavailability
11.500
Drug Likeness
0.258
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

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Direct relations and traceable candidates grouped by relation type.

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