Glycoside
GD012087
Name:
NoneFormula:
C21H21O4N3Cl2Smiles:
CC(C)Nc1nc2cc3cc(Cl)c(Cl)cc3cc2n1C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CC(C)NC1=Nc2cc3cc(Cl)c(Cl)cc3cc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 426.3 | Num_heavy_atoms: | 28 |
| TPSA: | 99.77 | NumAromaticRings: | 3 |
Unique Aglycone
AD09134
Formula: C16H12N3Cl2
Smiles:
CC(C)NC1=Nc2cc3cc(Cl)c(Cl)cc3cc2[N]1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 4.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 293.18 | Num_heavy_atoms: | 19 |
| TPSA: | 38.49 | NumAromaticRings: | 2 |
