Glycoside
GD116190
Name:
AspeciosideFormula:
C29H42O10Smiles:
CC1OC(OC2CCC3(C)C(C2)CC2OC24C3CC(O)C2(C)C(C3=CC(=O)OC3)CCC24O)C(O)C(O)C1OAglycone:
CC12CCC(O)CC1CC1OC13C2CC(O)C1(C)C(C2=CC(=O)OC2)CCC13OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 550.65 | Num_heavy_atoms: | 39 |
| TPSA: | 158.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD46097
Formula: C23H32O6
Smiles:
CC12CCC(O)CC1CC1OC13C2CC(O)C1(C)C(C2=CC(=O)OC2)CCC13O| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 99.52 | NumAromaticRings: | 0 |
