Glycoside
GD007652
Name:
PHYLLAMYRICOSIDE BFormula:
C27H30O12Smiles:
COc1cc2c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(CO)c(CO)c(-c3ccc4c(c3)OCO4)c2cc1OCAglycone:
COc1cc2c(O)c(CO)c(CO)c(-c3ccc4c(c3)OCO4)c2cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 546.53 | Num_heavy_atoms: | 39 |
| TPSA: | 176.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD06205
Formula: C21H20O7
Smiles:
COc1cc2c(O)c(CO)c(CO)c(-c3ccc4c(c3)OCO4)c2cc1OC| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 384.38 | Num_heavy_atoms: | 28 |
| TPSA: | 97.61 | NumAromaticRings: | 3 |
