Glycoside
GD107167
Name:
NoneFormula:
C24H28O9N2SSmiles:
O=S(=O)(c1ccc(NO)cc1)N(CCOc1ccc2ccccc2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OAglycone:
O=S(=O)(NCCOc1ccc2ccccc2c1)c1ccc(NO)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 520.56 | Num_heavy_atoms: | 36 |
| TPSA: | 169.02 | NumAromaticRings: | 3 |
Unique Aglycone
AD09748
Formula: C18H18O4N2S
Smiles:
O=S(=O)(NCCOc1ccc2ccccc2c1)c1ccc(NO)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 358.42 | Num_heavy_atoms: | 25 |
| TPSA: | 87.66 | NumAromaticRings: | 3 |
