Glycoside
GD070121
Name:
NoneFormula:
C17H18O5N3ClSmiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2cc(Cl)nnc2-c2ccccc2)[C@@H](O)[C@@H]1OAglycone:
Nc1cc(Cl)nnc1-c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 367.79 | Num_heavy_atoms: | 25 |
| TPSA: | 127.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD33212
Formula: C11H8N3Cl
Smiles:
Nc1cc(Cl)nnc1-c1ccccc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 205.65 | Num_heavy_atoms: | 14 |
| TPSA: | 51.8 | NumAromaticRings: | 2 |
