Glycoside
GD001322
Name:
NoneFormula:
C19H19O7N3Smiles:
O=C(O)c1ccc2cc(-c3n[nH]c([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)n3)ccc2c1Aglycone:
O=C(O)c1ccc2cc(-c3nc[nH]n3)ccc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 401.38 | Num_heavy_atoms: | 29 |
| TPSA: | 169.02 | NumAromaticRings: | 3 |
Unique Aglycone
AD01355
Formula: C13H9O2N3
Smiles:
O=C(O)c1ccc2cc(-c3nc[nH]n3)ccc2c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 239.23 | Num_heavy_atoms: | 18 |
| TPSA: | 78.87 | NumAromaticRings: | 3 |
