Glycoside
GD149027
Name:
PericlymenosideFormula:
C33H44O18Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC(OC(=O)C=Cc1ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c1)C2CAglycone:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C=Cc1ccc(O)c(OC)c1)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -2.7 | Num_rotatable_bonds: | 11 |
| MolWt: | 728.7 | Num_heavy_atoms: | 51 |
| TPSA: | 269.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD59598
Formula: C21H24O8
Smiles:
COC(=O)C1=COC(O)C2C1CC(OC(=O)C=Cc1ccc(O)c(OC)c1)C2C| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 404.42 | Num_heavy_atoms: | 29 |
| TPSA: | 111.52 | NumAromaticRings: | 1 |
