Glycoside
GD126009
Name:
Afrormosin 7-O-(6''-Malonylglucoside)Formula:
C26H26O13Smiles:
COc1ccc(-c2coc3cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)c(OC)cc3c2=O)cc1Aglycone:
COC(=O)CC(=O)O.COc1ccc(-c2coc3cc(O)c(OC)cc3c2=O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 546.48 | Num_heavy_atoms: | 39 |
| TPSA: | 191.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD14540
Formula: C17H14O5
Smiles:
COc1ccc(-c2coc3cc(O)c(OC)cc3c2=O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
