Glycoside
GD132761
Name:
NoneFormula:
C33H52O13SSmiles:
CC(C)CC(=O)CC(C)(O)C1CCC2C3CC(OS(=O)(=O)O)C4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3=CCC21CAglycone:
CC(C)CC(=O)CC(C)(O)C1CCC2C3CC(OS(=O)(=O)O)C4CC(O)CCC4(C)C3=CCC21CSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 688.83 | Num_heavy_atoms: | 47 |
| TPSA: | 217.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD53748
Formula: C27H44O7S
Smiles:
CC(C)CC(=O)CC(C)(O)C1CCC2C3CC(OS(=O)(=O)O)C4CC(O)CCC4(C)C3=CCC21C| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 512.71 | Num_heavy_atoms: | 35 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
