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Ingredients

N-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)glycine

C26H43NO5

Entity Type
Ingredients
Relation Groups
2
Relation Preview
7

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
N-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)glycine
Molecular Formula
C26H43NO5
Molecular Weight
No data
Canonical SMILES
CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
Isomeric SMILES
C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI
InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1
Oral Bioavailability
16.987
Drug Likeness
0.496
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

Direct relations and traceable candidates grouped by relation type.

Source Herbs

herb ingredient1 Herbs
01
牛黄
Niu Huang / Calculus Bovis; Bovis Calculus
Niu HuangCalculus Bovis; Bovis Calculus