Glycoside

GD009289
Name:
NoneFormula:
C30H48O28N2S2Smiles:
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)OAglycone:
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: | 12 | FractionCSP3: | 0.87 |
AlogP: | -7.9 | Num_rotatable_bonds: | 17 |
MolWt: | 948.83 | Num_heavy_atoms: | 62 |
TPSA: | 455.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)OHBA: | 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 |
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