Glycoside
GD097471
Name:
NoneFormula:
C21H23O9N3SSmiles:
COC(=O)c1cc2ccc(N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)nc2n1S(=O)(=O)c1ccccc1Aglycone:
COC(=O)c1cc2ccc(N)nc2n1S(=O)(=O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 493.49 | Num_heavy_atoms: | 34 |
| TPSA: | 180.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD41457
Formula: C15H13O4N3S
Smiles:
COC(=O)c1cc2ccc(N)nc2n1S(=O)(=O)c1ccccc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 331.35 | Num_heavy_atoms: | 23 |
| TPSA: | 104.28 | NumAromaticRings: | 3 |
