Glycoside
GD101926
Name:
NoneFormula:
C19H20O6N3ClS2Smiles:
O=C(CSc1cncc(Cl)n1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1Aglycone:
O=C(CSc1cncc(Cl)n1)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 473.96 | Num_heavy_atoms: | 30 |
| TPSA: | 145.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD43151
Formula: C13H10ON3ClS2
Smiles:
O=C(CSc1cncc(Cl)n1)Nc1ccc(S)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 311.82 | Num_heavy_atoms: | 19 |
| TPSA: | 54.88 | NumAromaticRings: | 2 |
