Glycoside
GD130590
Name:
NoneFormula:
C58H96O27SSmiles:
C=C(CCC(C)(O)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OC(CO)C(OC6OC(C)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C)C(C)CAglycone:
C=C(CCC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C)C(C)CSugarmoiety:
CC1OC(OC2C(OC3C(CO)OC(OC4C(O)C(C)OC(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)OC(C)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.93 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 18 |
| MolWt: | 1257.45 | Num_heavy_atoms: | 86 |
| TPSA: | 418.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD02324
Formula: C28H46O6S
Smiles:
C=C(CCC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C)C(C)C| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 5.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.74 | Num_heavy_atoms: | 35 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
Sugarmoiety
SD01745
CC1OC(OC2C(OC3C(CO)OC(OC4C(O)C(C)OC(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)OC(C)C(O)C2O)C(O)C(O)C1O