Glycoside
GD009312
Name:
AMURENSINFormula:
C26H30O12Smiles:
CC(C)(O)CCc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12Aglycone:
CC(C)(O)CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 534.51 | Num_heavy_atoms: | 38 |
| TPSA: | 210.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD07309
Formula: C20H20O7
Smiles:
CC(C)(O)CCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 372.37 | Num_heavy_atoms: | 27 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
