Glycoside
GD002072
Name:
NoneFormula:
C18H28O10NSSmiles:
O=[N+]([O-])c1ccccc1CO[C@H]([C@H](O)C[S+]1C[C@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@H](O)COAglycone:
C[S+]1CC(O)C(O)C1CO.Cc1ccccc1[N+](=O)[O-]Sugarmoiety:
OCC(O)C(O)C(OO)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -2.73 | Num_rotatable_bonds: | 11 |
| MolWt: | 450.49 | Num_heavy_atoms: | 30 |
| TPSA: | 193.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD02012
Formula: C6H13O3S
Smiles:
C[S+]1CC(O)C(O)C1CO| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 165.23 | Num_heavy_atoms: | 10 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
AD02014
Formula: C7H7O2N
Smiles:
Cc1ccccc1[N+](=O)[O-]| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.14 | Num_heavy_atoms: | 10 |
| TPSA: | 43.14 | NumAromaticRings: | 1 |
