Glycoside
GD003699
Name:
NoneFormula:
C18H16O4N3ClSmiles:
OC[C@@H]1O[C@H](n2cc(Cl)c3c(-c4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
ClC1=C[N]c2ncnc(-c3ccccc3)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 361.79 | Num_heavy_atoms: | 25 |
| TPSA: | 100.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD03324
Formula: C13H7N3Cl
Smiles:
ClC1=C[N]c2ncnc(-c3ccccc3)c21| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 228.66 | Num_heavy_atoms: | 16 |
| TPSA: | 39.88 | NumAromaticRings: | 2 |
