Glycoside
GD083306
Name:
NoneFormula:
C19H31O5N6Smiles:
CC(C)[C@H](CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[NH+]1CCOCC1Aglycone:
CC(C)C(CNc1ncnc2c1N=C[N]2)[NH+]1CCOCC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 423.49 | Num_heavy_atoms: | 30 |
| TPSA: | 139.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD37201
Formula: C14H22ON6
Smiles:
CC(C)C(CNc1ncnc2c1N=C[N]2)[NH+]1CCOCC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 290.37 | Num_heavy_atoms: | 21 |
| TPSA: | 77.94 | NumAromaticRings: | 1 |
