Glycoside
GD140621
Name:
Yopaaoside BFormula:
C26H28O14Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C1OC1C21OC(=O)C(=Cc2ccc(O)cc2)C1OAglycone:
COC(=O)C1=COC(O)C2C1C1OC1C21OC(=O)C(=Cc2ccc(O)cc2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 564.5 | Num_heavy_atoms: | 40 |
| TPSA: | 214.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD56695
Formula: C20H18O9
Smiles:
COC(=O)C1=COC(O)C2C1C1OC1C21OC(=O)C(=Cc2ccc(O)cc2)C1O| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 402.36 | Num_heavy_atoms: | 29 |
| TPSA: | 135.05 | NumAromaticRings: | 1 |
