Glycoside
...
GD123514

Name:
None

Formula:
C57H92O28S

Smiles:
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)C1O

Aglycone:
CC(C)(O)C=CC(=O)C(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C

Sugarmoiety:
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

Other 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=CCC21C
HBA: 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