Glycoside
GD078935
Name:
NoneFormula:
C17H19O4N3Cl2Smiles:
CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1OAglycone:
CC(C)NC1=Nc2cc(Cl)c(Cl)cc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 376.24 | Num_heavy_atoms: | 24 |
| TPSA: | 99.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD06254
Formula: C12H10N3Cl2
Smiles:
CC(C)NC1=Nc2cc(Cl)c(Cl)cc2[N]1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 243.12 | Num_heavy_atoms: | 15 |
| TPSA: | 38.49 | NumAromaticRings: | 1 |
