Glycoside
GD142218
Name:
NoneFormula:
C44H68O18Smiles:
CC(C)CC(=O)CC(C)C1CCC2C3=CC(=O)C4CC(OC5OC(C(=O)O)C(O)C(O)C5OC5OCC(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21CAglycone:
CC(C)CC(=O)CC(C)C1CCC2C3=CC(=O)C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.89 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 13 |
| MolWt: | 885.01 | Num_heavy_atoms: | 62 |
| TPSA: | 288.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD57239
Formula: C27H42O3
Smiles:
CC(C)CC(=O)CC(C)C1CCC2C3=CC(=O)C4CC(O)CCC4(C)C3CCC21C| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 5.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.63 | Num_heavy_atoms: | 30 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
