Glycoside
GD116081
Name:
Abiespiroside AFormula:
C21H30O9Smiles:
CC1=CC2(CC(C)C3CC=C(C)C(OC4OC(CO)C(O)C(O)C4O)C3O2)OC1=OAglycone:
CC1=CC2(CC(C)C3CC=C(C)C(O)C3O2)OC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 426.46 | Num_heavy_atoms: | 30 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD46040
Formula: C15H20O4
Smiles:
CC1=CC2(CC(C)C3CC=C(C)C(O)C3O2)OC1=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
