Glycoside
GD015306
Name:
NoneFormula:
C17H20O5N2Smiles:
OC[C@@H]1O[C@H](c2cccc(Cc3cnccn3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
c1ccc(Cc2cnccn2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.36 | Num_heavy_atoms: | 24 |
| TPSA: | 115.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD11138
Formula: C11H10N2
Smiles:
c1ccc(Cc2cnccn2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.09 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 170.22 | Num_heavy_atoms: | 13 |
| TPSA: | 25.78 | NumAromaticRings: | 2 |
