Glycoside
...
GD147991

Name:
None

Formula:
C54H84O28S2

Smiles:
C=C(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(OC4OCC(O)C(O)C4OC4OC(C)C(OC6OC(COS(=O)(=O)O)C(O)C(OC7OC(COS(=O)(=O)O)C(O)C(OC)C7O)C6O)C(O)C4O)C5(C)C)C2(C)CC(=O)C13

Aglycone:
C=C(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CC(=O)C13.COS(=O)(=O)O.COS(=O)(=O)O

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

Other Identifiers

Properties
HBA: 28 RingCount: 9
HBD: 10 FractionCSP3: 0.89
AlogP: -0.55 Num_rotatable_bonds: 19
MolWt: 1245.37 Num_heavy_atoms: 84
TPSA: 415.48 NumAromaticRings: 0

Unique Aglycone
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
AD00886
Formula: C30H44O4

Smiles:
C=C(C)CCCC1(C)OC(=O)C23CC=C4C(CCC5C4(C)CCC(O)C5(C)C)C2(C)CC(=O)C13
HBA: 4 RingCount: 5
HBD: 1 FractionCSP3: 0.8
AlogP: 6.17 Num_rotatable_bonds: 4
MolWt: 468.68 Num_heavy_atoms: 34
TPSA: 63.6 NumAromaticRings: 0

Sugarmoiety
SD01160

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