Glycoside
GD024150
Name:
Pedalitin-3'-O-Beta-GlucosideFormula:
C23H24O12Smiles:
COc1cc2oc(-c3ccc(O)c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c3)c(C)c(=O)c2c(O)c1OAglycone:
COc1cc2oc(-c3ccc(O)c(O)c3)c(C)c(=O)c2c(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.43 | Num_heavy_atoms: | 35 |
| TPSA: | 199.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD16154
Formula: C17H14O7
Smiles:
COc1cc2oc(-c3ccc(O)c(O)c3)c(C)c(=O)c2c(O)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
