Glycoside
GD006584
Name:
NoneFormula:
C17H19O3N3Cl2Smiles:
CCCNc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](C)[C@H](O)[C@H]1OAglycone:
CCCNC1=Nc2cc(Cl)c(Cl)cc2[N]1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.24 | Num_heavy_atoms: | 23 |
| TPSA: | 79.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD05439
Formula: C12H10N3Cl2
Smiles:
CCCNC1=Nc2cc(Cl)c(Cl)cc2[N]1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 243.12 | Num_heavy_atoms: | 15 |
| TPSA: | 38.49 | NumAromaticRings: | 1 |
