Glycoside
...
GD000503

Name:
None

Formula:
C30H44O28N2S2

Smiles:
COC1C(NC(C)=O)C(OC2C(C(=O)[O-])OC(OC3C(NC(C)=O)C(OC4C(C(=O)[O-])OC(C)C(O)C4O)OC(CO)C3OS(=O)(=O)[O-])C(O)C2O)OC(CO)C1OS(=O)(=O)[O-]

Aglycone:
O=S(=O)([O-])O.O=S(=O)([O-])O

Sugarmoiety:
COC1C(O)C(CO)OC(OC2C(C(=O)O)OC(OC3C(O)C(CO)OC(OC4C(C(=O)O)OC(C)C(O)C4O)C3NC(C)=O)C(O)C2O)C1NC(C)=O

Other Identifiers

Properties
HBA: 30 RingCount: 4
HBD: 8 FractionCSP3: 0.87
AlogP: -11.25 Num_rotatable_bonds: 17
MolWt: 944.8 Num_heavy_atoms: 62
TPSA: 466.54 NumAromaticRings: 0

Unique Aglycone
AD00426
Formula: HO4S

Smiles:
O=S(=O)([O-])O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.0
AlogP: -1.0 Num_rotatable_bonds: 0
MolWt: 97.07 Num_heavy_atoms: 5
TPSA: 77.43 NumAromaticRings: 0

Sugarmoiety
SD00182

COC1C(O)C(CO)OC(OC2C(C(=O)O)OC(OC3C(O)C(CO)OC(OC4C(C(=O)O)OC(C)C(O)C4O)C3NC(C)=O)C(O)C2O)C1NC(C)=O