Glycoside
GD029925
Name:
NoneFormula:
C21H20O5N3ClSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3nnc4ccccc4n3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1nnc2ccccc2n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 417.85 | Num_heavy_atoms: | 29 |
| TPSA: | 128.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD19410
Formula: C15H10N3Cl
Smiles:
Clc1ccccc1Cc1nnc2ccccc2n1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 255.71 | Num_heavy_atoms: | 18 |
| TPSA: | 38.67 | NumAromaticRings: | 3 |
