Glycoside
GD063941
Name:
NoneFormula:
C13H16O6N3ClSSmiles:
O=C(CSc1cncc(Cl)n1)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
NC(=O)CSc1cncc(Cl)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 365.8 | Num_heavy_atoms: | 23 |
| TPSA: | 145.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD30761
Formula: C7H6ON3ClS
Smiles:
NC(=O)CSc1cncc(Cl)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 203.65 | Num_heavy_atoms: | 12 |
| TPSA: | 68.87 | NumAromaticRings: | 1 |
