Glycoside
GD117065
Name:
Fuscaside AFormula:
C37H64O16SSmiles:
CC(C)C(CCC(C)C1CC(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(OC4OCC(O)C(O)C4O)CC3C(O)CC12O)OC1OCC(O)C(O)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12OSugarmoiety:
OC1COC(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 11 |
| MolWt: | 796.97 | Num_heavy_atoms: | 54 |
| TPSA: | 262.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD46612
Formula: C27H48O8S
Smiles:
CC(C)C(O)CCC(C)C1CC(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 532.74 | Num_heavy_atoms: | 36 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
