01
Ingredients
(1r,2s,2's,4ar,4br,6ar,7r,8s,10ar,10br,12as)-7-(hydroxymethyl)-2'-[(2s)-1-hydroxypropan-2-yl]-4a,4b,7,10a-tetramethylspiro[3,4,5,6,6a,8,9,10,10b,11,12,12a-dodecahydro-1h-chrysene-2,5'-oxane]-1,8-diol
C30H52O5
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (1r,2s,2's,4ar,4br,6ar,7r,8s,10ar,10br,12as)-7-(hydroxymethyl)-2'-[(2s)-1-hydroxypropan-2-yl]-4a,4b,7,10a-tetramethylspiro[3,4,5,6,6a,8,9,10,10b,11,12,12a-dodecahydro-1h-chrysene-2,5'-oxane]-1,8-diol
- Molecular Formula
- C30H52O5
- Molecular Weight
- No data
- Canonical SMILES
- CC(CO)C1CCC2(CCC3(C(C2O)CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C)CO1
- Isomeric SMILES
- C[C@@H](CO)[C@@H]1CC[C@@]2(CC[C@@]3([C@@H]([C@H]2O)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)CO)O)C)C)C)CO1
- InChI
- InChI=1S/C30H52O5/c1-19(16-31)21-8-13-30(18-35-21)15-14-28(4)20(25(30)34)6-7-23-26(2)11-10-24(33)27(3,17-32)22(26)9-12-29(23,28)5/h19-25,31-34H,6-18H2,1-5H3/t19-,20+,21-,22+,23+,24-,25+,26-,27-,28+,29+,30+/m0/s1
- Oral Bioavailability
- 17.454
- Drug Likeness
- 0.464
- 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 ingredient1 Herbs
