Glycoside
GD013285
Name:
NoneFormula:
C16H23O22N2S4Smiles:
CCN(CC(=O)NCCO[C@@H]1O[C@H](COS(=O)(=O)[O-])[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)NCCO)C(=O)CCC(=O)[O-].COS(=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: | 24 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | -6.76 | Num_rotatable_bonds: | 19 |
| MolWt: | 723.62 | Num_heavy_atoms: | 44 |
| TPSA: | 373.72 | 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 |
AD00581
Formula: CH3O4S
Smiles:
COS(=O)(=O)[O-]| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.1 | Num_heavy_atoms: | 6 |
| TPSA: | 66.43 | NumAromaticRings: | 0 |
AD09934
Formula: C10H17O5N2
Smiles:
CCN(CC(=O)NCCO)C(=O)CCC(=O)[O-]| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | -2.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 245.25 | Num_heavy_atoms: | 17 |
| TPSA: | 109.77 | NumAromaticRings: | 0 |
