Glycoside
GD023777
Name:
NoneFormula:
C19H20O6N4Smiles:
OC[C@@H]1O[C@H](Oc2ccc(-c3ccc(-c4nnn[nH]4)cc3)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(-c2ccc(-c3nnn[nH]3)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 400.39 | Num_heavy_atoms: | 29 |
| TPSA: | 153.84 | NumAromaticRings: | 3 |
Unique Aglycone
AD15964
Formula: C13H10ON4
Smiles:
Oc1ccc(-c2ccc(-c3nnn[nH]3)cc2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.25 | Num_heavy_atoms: | 18 |
| TPSA: | 74.69 | NumAromaticRings: | 3 |
