01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Aescigenin
- Molecular Formula
- C30H48O5
- Molecular Weight
- No data
- Canonical SMILES
- CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC6C2(C(C1O6)O)CO)C)C)(C)CO)O)C)C
- Isomeric SMILES
- C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]5[C@@]6([C@H]4CC([C@@H]([C@@H]6O)O5)(C)C)CO)C)C)(C)CO)O
- InChI
- InChI=1S/C30H48O5/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22-30(18,16-32)23(34)24(25)35-22/h7,18-24,31-34H,8-16H2,1-6H3/t18-,19+,20+,21-,22+,23-,24+,26-,27+,28+,29+,30-/m0/s1
- Oral Bioavailability
- 18.728
- Drug Likeness
- 0.440
- 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
Related Entities
Direct relations and traceable candidates grouped by relation type.
Source Herbs
herb ingredient2 Herbs