Glycoside
GD002749
Name:
NoneFormula:
C14H12O4N2Cl2SSmiles:
OC[C@@H]1O[C@H](n2c(S)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1OAglycone:
SC1=Nc2cc(Cl)c(Cl)cc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 351.21 | Num_heavy_atoms: | 21 |
| TPSA: | 87.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD02588
Formula: C9H3N2Cl2S
Smiles:
SC1=Nc2cc(Cl)c(Cl)cc2[N]1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 0 |
| MolWt: | 218.09 | Num_heavy_atoms: | 12 |
| TPSA: | 26.46 | NumAromaticRings: | 1 |
