Glycoside
GD021328
Name:
NoneFormula:
C16H13O4N3Cl2SSmiles:
N#CCSc1nc2cc(Cl)c(Cl)cc2n1C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
N#CCSC1=Nc2cc(Cl)c(Cl)cc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.25 | Num_heavy_atoms: | 24 |
| TPSA: | 111.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD14602
Formula: C11H4N3Cl2S
Smiles:
N#CCSC1=Nc2cc(Cl)c(Cl)cc2[N]1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 257.12 | Num_heavy_atoms: | 15 |
| TPSA: | 50.25 | NumAromaticRings: | 1 |
