Glycoside
GD030676
Name:
NoneFormula:
C17H17O4N3Smiles:
O[C@@H]1[C@@H](c2nc(-c3ccc4ccccc4c3)n[nH]2)OC[C@@H](O)[C@H]1OAglycone:
c1ccc2cc(-c3nc[nH]n3)ccc2c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 327.34 | Num_heavy_atoms: | 24 |
| TPSA: | 111.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD09983
Formula: C12H9N3
Smiles:
c1ccc2cc(-c3nc[nH]n3)ccc2c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 195.22 | Num_heavy_atoms: | 15 |
| TPSA: | 41.57 | NumAromaticRings: | 3 |
