Glycoside
...
GD144602

Name:
None

Formula:
C55H86O26S

Smiles:
C=C(C)CCCC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(OC6OCC(OS(=O)(=O)O)C(O)C6OC6OC(CO)C(OC7OCC(O)C(OC8OC(CO)C(O)C(OC)C8O)C7O)C(O)C6O)CCC45C)C2(C)CC(OC(C)=O)C13

Aglycone:
C=C(C)CCCC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CC(OC(C)=O)C13.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: 26 RingCount: 9
HBD: 10 FractionCSP3: 0.89
AlogP: -0.41 Num_rotatable_bonds: 18
MolWt: 1195.33 Num_heavy_atoms: 82
TPSA: 381.34 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
AD05574
Formula: C32H48O5

Smiles:
C=C(C)CCCC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CC(OC(C)=O)C13
HBA: 5 RingCount: 5
HBD: 1 FractionCSP3: 0.81
AlogP: 6.54 Num_rotatable_bonds: 5
MolWt: 512.73 Num_heavy_atoms: 37
TPSA: 72.83 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