Glycoside
GD022033
Name:
NoneFormula:
C16H16O3N3Cl2BrSmiles:
CC(C)Nc1nc2c(Br)c(Cl)c(Cl)cc2n1C1OC[C@H](O)[C@H]1OAglycone:
CC(C)NC1=Nc2c(cc(Cl)c(Cl)c2Br)[N]1Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 425.11 | Num_heavy_atoms: | 23 |
| TPSA: | 79.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD14982
Formula: C12H9N3Cl2Br
Smiles:
CC(C)NC1=Nc2c(cc(Cl)c(Cl)c2Br)[N]1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 322.01 | Num_heavy_atoms: | 16 |
| TPSA: | 38.49 | NumAromaticRings: | 1 |
