Glycoside
GD129203
Name:
NoneFormula:
C32H54O11SSmiles:
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: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 9 |
| MolWt: | 646.84 | Num_heavy_atoms: | 44 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD52340
Formula: C27H46O7S
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: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 514.73 | Num_heavy_atoms: | 35 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
