Glycoside
GD054529
Name:
NoneFormula:
C15H18O5N4Smiles:
OC[C@H]1O[C@H](O)[C@H](Nc2cc(-c3ccncc3)ncn2)[C@@H](O)[C@@H]1OAglycone:
Nc1cc(-c2ccncc2)ncn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 334.33 | Num_heavy_atoms: | 24 |
| TPSA: | 140.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD27795
Formula: C9H8N4
Smiles:
Nc1cc(-c2ccncc2)ncn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 172.19 | Num_heavy_atoms: | 13 |
| TPSA: | 64.69 | NumAromaticRings: | 2 |
