Glycoside
GD158363
Name:
NoneFormula:
C32H52O11SSmiles:
CC(C)CC(=O)C(O)C(C)C1CCC2C3C(OC4OCC(O)C(O)C4O)C=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12CAglycone:
CC(C)CC(=O)C(O)C(C)C1CCC2C3C(O)C=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 9 |
| MolWt: | 644.82 | Num_heavy_atoms: | 44 |
| TPSA: | 180.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD62520
Formula: C27H44O7S
Smiles:
CC(C)CC(=O)C(O)C(C)C1CCC2C3C(O)C=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 512.71 | Num_heavy_atoms: | 35 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
