Glycoside
GD013574
Name:
NoneFormula:
C22H21O5N9Smiles:
OCc1cnn(-c2nc(Nc3ncc4ccccc4n3)c3ncn([C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)c3n2)c1Aglycone:
OCc1cnn(-c2nc3c(c(Nc4ncc5ccccc5n4)n2)N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 491.47 | Num_heavy_atoms: | 36 |
| TPSA: | 189.38 | NumAromaticRings: | 5 |
Unique Aglycone
AD10105
Formula: C17H12ON9
Smiles:
OCc1cnn(-c2nc3c(c(Nc4ncc5ccccc5n4)n2)N=C[N]3)c1| HBA: | 10 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 358.35 | Num_heavy_atoms: | 27 |
| TPSA: | 128.1 | NumAromaticRings: | 4 |
