Glycoside
GD020880
Name:
NoneFormula:
C18H12O4N3Cl3Smiles:
OC[C@@H]1OC(n2c(Cl)nc3cc4cc(Cl)c(Cl)cc4nc32)[C@H](O)[C@H]1OAglycone:
ClC1=Nc2cc3cc(Cl)c(Cl)cc3nc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.64 | Num_heavy_atoms: | 25 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD14345
Formula: C13H3N3Cl3
Smiles:
ClC1=Nc2cc3cc(Cl)c(Cl)cc3nc2[N]1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 0 |
| MolWt: | 271.51 | Num_heavy_atoms: | 16 |
| TPSA: | 39.35 | NumAromaticRings: | 2 |
