Glycoside
GD005378
Name:
NoneFormula:
C16H23O23N2S5Smiles:
O=C(CN(CCOS(=O)(=O)[O-])C(=O)C1OC(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C1OS(=O)(=O)[O-])NC1CCCCC1Aglycone:
O=CN(CCOS(=O)(=O)[O-])CC(=O)NC1CCCCC1.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | -5.52 | Num_rotatable_bonds: | 16 |
| MolWt: | 771.69 | Num_heavy_atoms: | 46 |
| TPSA: | 390.79 | 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 |
AD04578
Formula: C11H19O6N2S
Smiles:
O=CN(CCOS(=O)(=O)[O-])CC(=O)NC1CCCCC1| HBA: | 8 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.82 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 307.35 | Num_heavy_atoms: | 20 |
| TPSA: | 115.84 | NumAromaticRings: | 0 |
