Glycoside
GD026399
Name:
NoneFormula:
C19H22O7N6Smiles:
C[C@]1(O)[C@H](O)[C@H](CO)O[C@H]1n1cnc2c(N)nc(ONC(=O)OCc3ccccc3)nc21Aglycone:
Nc1nc(ONC(=O)OCc2ccccc2)nc2c1N=C[N]2Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.42 | Num_heavy_atoms: | 32 |
| TPSA: | 187.1 | NumAromaticRings: | 3 |
Unique Aglycone
AD02573
Formula: C13H11O3N6
Smiles:
Nc1nc(ONC(=O)OCc2ccccc2)nc2c1N=C[N]2| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 299.27 | Num_heavy_atoms: | 22 |
| TPSA: | 125.82 | NumAromaticRings: | 2 |
