Glycoside
GD156763
Name:
NoneFormula:
C40H70O17SSmiles:
COC1C(OC2CCC3(C)C(C2)C(O)CC2(O)C3CCC3(C)C(C(C)CCC(CCOC4OCC(O)C(O)C4O)C(C)C)C(OS(=O)(=O)O)C(O)C32)OCC(O)C1OAglycone:
CC(C)C(CCO)CCC(C)C1C(OS(=O)(=O)O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12OSugarmoiety:
COC1C(O)OCC(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 14 |
| MolWt: | 855.05 | Num_heavy_atoms: | 58 |
| TPSA: | 271.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD46311
Formula: C29H52O9S
Smiles:
CC(C)C(CCO)CCC(C)C1C(OS(=O)(=O)O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 576.79 | Num_heavy_atoms: | 39 |
| TPSA: | 164.75 | NumAromaticRings: | 0 |
