Glycoside
GD092022
Name:
NoneFormula:
C21H31O5N6Smiles:
CC[NH+]1CCN(c2ccc(Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)CC1Aglycone:
CC[NH+]1CCN(c2ccc(NC3=C(C(N)=O)N=C[N]3)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 447.52 | Num_heavy_atoms: | 32 |
| TPSA: | 150.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD40164
Formula: C16H22ON6
Smiles:
CC[NH+]1CCN(c2ccc(NC3=C(C(N)=O)N=C[N]3)cc2)CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 314.39 | Num_heavy_atoms: | 23 |
| TPSA: | 89.26 | NumAromaticRings: | 1 |
