Glycoside
GD049314
Name:
NoneFormula:
C13H16O5N4Smiles:
O[C@@H]1[C@@H](O)[C@H](O)O[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H]1OAglycone:
Cn1cc(-c2cccnc2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 308.29 | Num_heavy_atoms: | 22 |
| TPSA: | 133.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD02298
Formula: C8H8N4
Smiles:
Cn1cc(-c2cccnc2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.18 | Num_heavy_atoms: | 12 |
| TPSA: | 43.6 | NumAromaticRings: | 2 |
