Glycoside
GD145484
Name:
Aceroside IvFormula:
C25H30O8Smiles:
O=C1CCCCc2ccc(OC3OC(CO)C(O)C(O)C3O)c(c2)Oc2ccc(cc2)CC1Aglycone:
O=C1CCCCc2ccc(O)c(c2)Oc2ccc(cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 458.51 | Num_heavy_atoms: | 33 |
| TPSA: | 125.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD58395
Formula: C19H20O3
Smiles:
O=C1CCCCc2ccc(O)c(c2)Oc2ccc(cc2)CC1| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.32 |
| AlogP: | 4.41 | Num_rotatable_bonds: | 0 |
| MolWt: | 296.37 | Num_heavy_atoms: | 22 |
| TPSA: | 46.53 | NumAromaticRings: | 2 |
