Glycoside
GD033404
Name:
NoneFormula:
C21H18O11Smiles:
O=C(Oc1cc(O)c2c(=O)cc(-c3ccccc3O)oc2c1)[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=COc1cc(O)c2c(=O)cc(-c3ccccc3O)oc2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 446.36 | Num_heavy_atoms: | 32 |
| TPSA: | 187.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD21315
Formula: C16H10O6
Smiles:
O=COc1cc(O)c2c(=O)cc(-c3ccccc3O)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.25 | Num_heavy_atoms: | 22 |
| TPSA: | 96.97 | NumAromaticRings: | 3 |
