Glycoside
GD120037
Name:
4-amino-1-[3-hydroxy-5-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]-1,2-dihydropyrimidin-2-oneFormula:
C15H23O10N3Smiles:
N=c1ccn(C2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C2O)c(O)n1Aglycone:
N=C1C=C[N]C(O)=N1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.73 |
| AlogP: | -4.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 405.36 | Num_heavy_atoms: | 28 |
| TPSA: | 210.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD45484
Formula: C4H4ON3
Smiles:
N=C1C=C[N]C(O)=N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.1 | Num_heavy_atoms: | 8 |
| TPSA: | 70.54 | NumAromaticRings: | 0 |
