Glycoside
GD156495
Name:
NoneFormula:
C58H96O27SSmiles:
CC(C)C(C)C1OC1C(C)(O)C1CCC2C3CC(OC4OC(CO)C(O)C(OC5OC(C)C(OC6OC(C)C(O)C(O)C6OC6OC(C)C(O)CC6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21CAglycone:
CC(C)C(C)C1OC1C(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21CSugarmoiety:
CC1OC(OC2C(OC3C(C)OC(OC4C(O)C(O)OC(CO)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)OC(C)C(O)C2O)C(O)CC1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 10 |
| HBD: | 13 | FractionCSP3: | 0.97 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 17 |
| MolWt: | 1257.45 | Num_heavy_atoms: | 86 |
| TPSA: | 411.19 | NumAromaticRings: | 0 |
Unique Aglycone
AD03952
Formula: C28H46O7S
Smiles:
CC(C)C(C)C1OC1C(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 526.74 | Num_heavy_atoms: | 36 |
| TPSA: | 116.59 | NumAromaticRings: | 0 |
Sugarmoiety
SD10466
CC1OC(OC2C(OC3C(C)OC(OC4C(O)C(O)OC(CO)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)OC(C)C(O)C2O)C(O)CC1O