Glycoside
GD019169
Name:
NoneFormula:
C21H20O5N8Smiles:
CNc1nc(-n2cc(-c3nc4ccccc4o3)cn2)nc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CNc1nc(-n2cc(-c3nc4ccccc4o3)cn2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.44 | Num_heavy_atoms: | 34 |
| TPSA: | 169.4 | NumAromaticRings: | 5 |
Unique Aglycone
AD13416
Formula: C16H11ON8
Smiles:
CNc1nc(-n2cc(-c3nc4ccccc4o3)cn2)nc2c1N=C[N]2| HBA: | 9 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 331.32 | Num_heavy_atoms: | 25 |
| TPSA: | 108.12 | NumAromaticRings: | 4 |
