Glycoside
GD079138
Name:
NoneFormula:
C15H19O7N3S2Smiles:
Nc1ncc(S(=O)(=O)c2ccc(N[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)s1Aglycone:
Nc1ccc(S(=O)(=O)c2cnc(N)s2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 417.47 | Num_heavy_atoms: | 27 |
| TPSA: | 175.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD36277
Formula: C9H9O2N3S2
Smiles:
Nc1ccc(S(=O)(=O)c2cnc(N)s2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 255.32 | Num_heavy_atoms: | 16 |
| TPSA: | 99.07 | NumAromaticRings: | 2 |
