Glycoside
GD126699
Name:
NoneFormula:
C59H98O28SSmiles:
CCC(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)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21CAglycone:
CCC(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)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 10 |
| HBD: | 14 | FractionCSP3: | 0.97 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 18 |
| MolWt: | 1287.47 | Num_heavy_atoms: | 88 |
| TPSA: | 431.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD51282
Formula: C29H48O7S
Smiles:
CCC(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: | 4.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 540.76 | Num_heavy_atoms: | 37 |
| TPSA: | 116.59 | NumAromaticRings: | 0 |
Sugarmoiety
SD00644
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)C(O)C1O