Glycoside
...
GD135355

Name:
None

Formula:
C53H84O27S

Smiles:
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(CO)OC(OC4C(OC5CCC6(C)C7=CC(O)C89C(=O)OC(C)(C%10CCC(C)(C)O%10)C8(O)CCC9(C)C7CCC6C5(C)C)OCC(OS(=O)(=O)O)C4O)C(O)C3O)C2O)C1O

Aglycone:
CC1(C)CCC(C2(C)OC(=O)C34C(O)C=C5C(CCC6C5(C)CCC(O)C6(C)C)C3(C)CCC24O)O1.O=S(=O)(O)O

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

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 12 FractionCSP3: 0.94
AlogP: -2.65 Num_rotatable_bonds: 14
MolWt: 1185.3 Num_heavy_atoms: 81
TPSA: 404.73 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
AD03787
Formula: C30H46O6

Smiles:
CC1(C)CCC(C2(C)OC(=O)C34C(O)C=C5C(CCC6C5(C)CCC(O)C6(C)C)C3(C)CCC24O)O1
HBA: 6 RingCount: 6
HBD: 3 FractionCSP3: 0.9
AlogP: 4.29 Num_rotatable_bonds: 1
MolWt: 502.69 Num_heavy_atoms: 36
TPSA: 96.22 NumAromaticRings: 0

Sugarmoiety
SD00485

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