Aloin B
(10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
| Molecular Formula | C21H22O9 |
|---|---|
| Molecular Weight | 418.4 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 168.0 A2 |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.12637 |
| Heavy Atoms | 30 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 28371-16-6 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO |
| InChIKey | AFHJQYHRLPMKHU-WEZNYRQKSA-N |
📖 Product Overview
Aloin B (CAS: 28371-16-6) is a chemical compound with molecular formula C21H22O9 and molecular weight 418.4 g/mol. Its IUPAC systematic name is (10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one.
AFHJQYHRLPMKHU-WEZNYRQKSA-N.
SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO.
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