Glycoside
GD098736
Name:
NoneFormula:
C22H26O7N6Smiles:
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CCOC(=O)C(Cc1ccccc1)NC(=O)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 486.49 | Num_heavy_atoms: | 35 |
| TPSA: | 180.95 | NumAromaticRings: | 3 |
Unique Aglycone
AD42003
Formula: C17H17O3N6
Smiles:
CCOC(=O)C(Cc1ccccc1)NC(=O)Nc1ncnc2c1N=C[N]2| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 353.36 | Num_heavy_atoms: | 26 |
| TPSA: | 119.67 | NumAromaticRings: | 2 |
