Glycoside
GD013389
Name:
NoneFormula:
C20H28O19N2S2Smiles:
CC(=O)N[C@@H]1[C@H](Oc2ccccc2[N+](=O)[O-])O[C@H](COS(=O)(=O)O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)O.COS(=O)(=O)O.O=[N+]([O-])c1ccccc1OSugarmoiety:
CC(=O)NC1C(O)OC(O)C(O)C1OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -3.6 | Num_rotatable_bonds: | 12 |
| MolWt: | 664.57 | Num_heavy_atoms: | 43 |
| TPSA: | 317.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD01290
Formula: C6H5O3N
Smiles:
O=[N+]([O-])c1ccccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 139.11 | Num_heavy_atoms: | 10 |
| TPSA: | 63.37 | NumAromaticRings: | 1 |
