Glycoside
GD021659
Name:
NoneFormula:
C15H22O18N2S3Smiles:
CCN(CC(=O)NC[C@@H]1O[C@H](OC)[C@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-])C(=O)CCC(=O)[O-]Aglycone:
CCN(CC(=O)NC)C(=O)CCC(=O)[O-].O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])OSugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | -5.61 | Num_rotatable_bonds: | 15 |
| MolWt: | 614.54 | Num_heavy_atoms: | 38 |
| TPSA: | 307.29 | 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 |
AD14766
Formula: C9H15O4N2
Smiles:
CCN(CC(=O)NC)C(=O)CCC(=O)[O-]| HBA: | 6 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 215.23 | Num_heavy_atoms: | 15 |
| TPSA: | 89.54 | NumAromaticRings: | 0 |
