Glycoside
GD049330
Name:
NoneFormula:
C12H15O5N5Smiles:
O[C@@H]1[C@@H](O)[C@H](O)O[C@H](Cn2cc(-c3cnccn3)nn2)[C@@H]1OAglycone:
Cn1cc(-c2cnccn2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -2.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 309.28 | Num_heavy_atoms: | 22 |
| TPSA: | 146.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD26142
Formula: C7H7N5
Smiles:
Cn1cc(-c2cnccn2)nn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.17 | Num_heavy_atoms: | 12 |
| TPSA: | 56.49 | NumAromaticRings: | 2 |
