Glycoside
GD091265
Name:
NoneFormula:
C19H24O8N4Smiles:
CCOC(=O)COc1ccc(Nc2c(C(N)=O)ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
CCOC(=O)COc1ccc(NC2=C(C(N)=O)N=C[N]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 436.42 | Num_heavy_atoms: | 31 |
| TPSA: | 178.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD39799
Formula: C14H15O4N4
Smiles:
CCOC(=O)COc1ccc(NC2=C(C(N)=O)N=C[N]2)cc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 303.3 | Num_heavy_atoms: | 22 |
| TPSA: | 117.11 | NumAromaticRings: | 1 |
