Glycoside
GD090637
Name:
NoneFormula:
C20H24O7N4Smiles:
COC(=O)C1(c2ccc(Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)CC1Aglycone:
COC(=O)C1(c2ccc(NC3=C(C(N)=O)N=C[N]3)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 432.43 | Num_heavy_atoms: | 31 |
| TPSA: | 169.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD39439
Formula: C15H15O3N4
Smiles:
COC(=O)C1(c2ccc(NC3=C(C(N)=O)N=C[N]3)cc2)CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 299.31 | Num_heavy_atoms: | 22 |
| TPSA: | 107.88 | NumAromaticRings: | 1 |
