Glycoside
GD122822
Name:
NoneFormula:
C57H94O29SSmiles:
CC(C)CC(=O)CC(C)(O)C1CCC2C3C(=CCC21C)C1(C)CCC(OS(=O)(=O)O)CC1C(OC1OC(C)C(O)C(OC2OC(C)C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(O)C2OC2OC(C)C(O)C(O)C2O)C1O)C3OAglycone:
CC(C)CC(=O)CC(C)(O)C1CCC2C3C(=CCC21C)C1(C)CCC(OS(=O)(=O)O)CC1C(O)C3OSugarmoiety:
CC1OC(OC2C(OC3C(C)OC(OC4C(O)C(C)OC(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 9 |
| HBD: | 15 | FractionCSP3: | 0.95 |
| AlogP: | -3.32 | Num_rotatable_bonds: | 18 |
| MolWt: | 1275.42 | Num_heavy_atoms: | 87 |
| TPSA: | 456.19 | NumAromaticRings: | 0 |
Unique Aglycone
AD49535
Formula: C27H44O8S
Smiles:
CC(C)CC(=O)CC(C)(O)C1CCC2C3C(=CCC21C)C1(C)CCC(OS(=O)(=O)O)CC1C(O)C3O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 528.71 | Num_heavy_atoms: | 36 |
| TPSA: | 141.36 | NumAromaticRings: | 0 |
Sugarmoiety
SD01046
CC1OC(OC2C(OC3C(C)OC(OC4C(O)C(C)OC(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O