Glycoside

GD123514
Name:
NoneFormula:
C57H92O28SSmiles:
COC1C(O)C(C)OC(OC2C(OC3C(O)C(C)OC(OC4CC5C(=CCC6(C)C5CCC6C(C)(O)C(=O)C=CC(C)(C)O)C5(C)CCC(OS(=O)(=O)O)CC45)C3O)OCC(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C1OAglycone:
CC(C)(O)C=CC(=O)C(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21CSugarmoiety:
COC1C(O)C(C)OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C1OOther Identifiers
Properties
HBA: | 28 | RingCount: | 9 |
HBD: | 13 | FractionCSP3: | 0.91 |
AlogP: | -2.1 | Num_rotatable_bonds: | 17 |
MolWt: | 1257.4 | Num_heavy_atoms: | 86 |
TPSA: | 424.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD12339
Formula: C27H42O8S
Smiles:
CC(C)(O)C=CC(=O)C(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21CHBA: | 8 | RingCount: | 4 |
HBD: | 4 | FractionCSP3: | 0.81 |
AlogP: | 3.37 | Num_rotatable_bonds: | 6 |
MolWt: | 526.69 | Num_heavy_atoms: | 36 |
TPSA: | 141.36 | NumAromaticRings: | 0 |
Sugarmoiety

SD05277
COC1C(O)C(C)OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C1O