Glycoside

GD152384
Name:
NoneFormula:
C62H102O31SSmiles:
CC(C)C(C)C(=O)CC(C)(O)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OCC(OC6OC(C)C(O)C(O)C6OC6OC(C)C(O)C(OC7OCC(O)C(O)C7O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21CAglycone:
CC(C)C(C)C(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21CSugarmoiety:
CC1OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 31 | RingCount: | 10 |
HBD: | 15 | FractionCSP3: | 0.95 |
AlogP: | -2.94 | Num_rotatable_bonds: | 19 |
MolWt: | 1375.53 | Num_heavy_atoms: | 94 |
TPSA: | 474.65 | NumAromaticRings: | 0 |
Unique Aglycone
AD00003
Formula: C28H46O7S
Smiles:
CC(C)C(C)C(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21CHBA: | 7 | RingCount: | 4 |
HBD: | 3 | FractionCSP3: | 0.89 |
AlogP: | 4.73 | Num_rotatable_bonds: | 7 |
MolWt: | 526.74 | Num_heavy_atoms: | 36 |
TPSA: | 121.13 | NumAromaticRings: | 0 |
Sugarmoiety

SD06239
CC1OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O