Glycoside
...
GD140535

Name:
None

Formula:
C54H86O27S2

Smiles:
C=C(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(OC4OCC(OS(=O)(=O)O)C(O)C4OC4OC(C)C(OC6OC(COS(=O)(=O)O)C(O)C(OC7OC(CO)C(O)C(OC)C7O)C6O)C(O)C4O)C5(C)C)C2(C)CCC13

Aglycone:
C=C(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13.COS(=O)(=O)O.O=S(=O)(O)O

Sugarmoiety:
COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCOC4O)C(O)C3O)C2O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 9
HBD: 10 FractionCSP3: 0.91
AlogP: 0.27 Num_rotatable_bonds: 19
MolWt: 1231.39 Num_heavy_atoms: 83
TPSA: 398.41 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
AD00053
Formula: CH4O4S

Smiles:
COS(=O)(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: -0.56 Num_rotatable_bonds: 1
MolWt: 112.11 Num_heavy_atoms: 6
TPSA: 63.6 NumAromaticRings: 0
AD56661
Formula: C30H46O3

Smiles:
C=C(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CCC13
HBA: 3 RingCount: 5
HBD: 1 FractionCSP3: 0.83
AlogP: 6.99 Num_rotatable_bonds: 4
MolWt: 454.7 Num_heavy_atoms: 33
TPSA: 46.53 NumAromaticRings: 0

Sugarmoiety
SD01838

COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCOC4O)C(O)C3O)C2O)C1O