Glycoside
GD015190
Name:
NoneFormula:
C24H31O15NSSmiles:
CC(=O)OC[C@@H]1O[C@H](Sc2ccc([N+](=O)[O-])cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(C)=O.O=[N+]([O-])c1ccc(S)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 605.57 | Num_heavy_atoms: | 41 |
| TPSA: | 230.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD11065
Formula: C6H5O2NS
Smiles:
O=[N+]([O-])c1ccc(S)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 155.18 | Num_heavy_atoms: | 10 |
| TPSA: | 43.14 | NumAromaticRings: | 1 |
