Glycoside
GD014704
Name:
NoneFormula:
C19H21O4N5Smiles:
C[C@@H]1O[C@H](n2cc(-c3ccccc3)c3c(NCC(N)=O)ncnc32)[C@H](O)[C@H]1OAglycone:
NC(=O)CNc1ncnc2c1C(c1ccccc1)=C[N]2Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 383.41 | Num_heavy_atoms: | 28 |
| TPSA: | 135.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD10780
Formula: C14H12ON5
Smiles:
NC(=O)CNc1ncnc2c1C(c1ccccc1)=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 266.28 | Num_heavy_atoms: | 20 |
| TPSA: | 95.0 | NumAromaticRings: | 2 |
