Glycoside
GD061033
Name:
NoneFormula:
C15H16O5N3ClSmiles:
O[C@@H]1[C@@H](O)[C@H](O)O[C@H](Cn2cc(-c3cccc(Cl)c3)nn2)[C@@H]1OAglycone:
Cn1cc(-c2cccc(Cl)c2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 341.75 | Num_heavy_atoms: | 23 |
| TPSA: | 120.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD01993
Formula: C10H8N3Cl
Smiles:
Cn1cc(-c2cccc(Cl)c2)nn1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 193.64 | Num_heavy_atoms: | 13 |
| TPSA: | 30.71 | NumAromaticRings: | 2 |
