| Phytochemical Name : (10R)-1,8-Dihydroxy-3-(hydroxymethyl)-10-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one |
| PCNDIDOT0070 |
| Pubchem CID : 12305763 |
| Molecular formula: C21H22O9 |
| Canonical 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 |
Synonymes : aloin|5133-19-7|8015-61-0|(10R)-1,8-Dihydroxy-3-(hydroxymethyl)-10-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.860 |
| Log Po/w (XLOGP3) : -0.120 |
| Log Po/w (WLOGP) : -1.040 |
| Log Po/w (MLOGP) : -1.590 |
| Log Po/w (SILICOS-IT) : 0.180 |
| Consensus Log Po/w : -0.140 |