Glycoside
GD021764
Name:
NoneFormula:
C14H16O6N2S2Smiles:
O=C(c1ccsc1)c1cnc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1Aglycone:
Nc1ncc(C(=O)c2ccsc2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 372.42 | Num_heavy_atoms: | 24 |
| TPSA: | 132.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD14826
Formula: C8H6ON2S2
Smiles:
Nc1ncc(C(=O)c2ccsc2)s1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 210.28 | Num_heavy_atoms: | 13 |
| TPSA: | 55.98 | NumAromaticRings: | 2 |
