Glycoside
...
GD138887

Name:
None

Formula:
C55H86O26S

Smiles:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC5CCC6(C)C7CCC89C(=O)OC(C)(CC(=O)CC(C)C)C8C(OC(C)=O)CC9(C)C7=CCC6C5(C)C)OCC(OS(=O)(=O)O)C4O)C(O)C3O)C2O)C1O

Aglycone:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(CC(=O)CC(C)C)C13.O=S(=O)(O)O

Sugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 9
HBD: 9 FractionCSP3: 0.91
AlogP: -0.12 Num_rotatable_bonds: 17
MolWt: 1195.33 Num_heavy_atoms: 82
TPSA: 378.18 NumAromaticRings: 0

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD56035
Formula: C32H48O6

Smiles:
CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(CC(=O)CC(C)C)C13
HBA: 6 RingCount: 5
HBD: 1 FractionCSP3: 0.84
AlogP: 5.8 Num_rotatable_bonds: 5
MolWt: 528.73 Num_heavy_atoms: 38
TPSA: 89.9 NumAromaticRings: 0

Sugarmoiety
SD00327

COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(O)C3O)C2O)C1O