Glycoside

GD000503
Name:
NoneFormula:
C30H44O28N2S2Smiles:
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-])OSugarmoiety:
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)=OOther 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-])OHBA: | 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