Glycoside
GD116181
Name:
2-(3,8-dimethyl-2-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,4,5,6,7,8,8a-octahydroazulen-5-yl)propan-2-yl acetateFormula:
C23H36O9Smiles:
CC(=O)OC(C)(C)C1CC2=C(C)C(=O)CC2C(C)CC1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)OC(C)(C)C1CC2=C(C)C(=O)CC2C(C)CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.53 | Num_heavy_atoms: | 32 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD46093
Formula: C17H26O4
Smiles:
CC(=O)OC(C)(C)C1CC2=C(C)C(=O)CC2C(C)CC1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.76 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 294.39 | Num_heavy_atoms: | 21 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
