Glycoside
GD006656
Name:
NoneFormula:
C28H32O18Smiles:
COc1cc(O)c2c(=O)c(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)c(-c3cc(O)c(O)c(O)c3)oc2c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.46 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 656.55 | Num_heavy_atoms: | 46 |
| TPSA: | 298.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD05486
Formula: C16H12O9
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.06 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 348.26 | Num_heavy_atoms: | 25 |
| TPSA: | 160.82 | NumAromaticRings: | 3 |
