Glycoside
GD122531
Name:
NoneFormula:
C32H54O10SSmiles:
CC(C)C(CCC(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3=CCC12C)OC1OCC(OS(=O)(=O)O)C(O)C1OAglycone:
CC(C)C(O)CCC(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3=CCC12C.O=S(=O)(O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 9 |
| MolWt: | 630.84 | Num_heavy_atoms: | 43 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD49385
Formula: C27H46O3
Smiles:
CC(C)C(O)CCC(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3=CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.66 | Num_heavy_atoms: | 30 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
