Glycoside
GD082848
Name:
NoneFormula:
C18H24O5N6Smiles:
C=CCN1CC[C@H](N(C)c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=OAglycone:
C=CCN1CCC(N(C)c2ncnc3c2N=C[N]3)C1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 404.43 | Num_heavy_atoms: | 29 |
| TPSA: | 137.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD37117
Formula: C13H15ON6
Smiles:
C=CCN1CCC(N(C)c2ncnc3c2N=C[N]3)C1=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 271.3 | Num_heavy_atoms: | 20 |
| TPSA: | 75.79 | NumAromaticRings: | 1 |
