Glycoside
GD146796
Name:
2-amino-N-{carbamoyl[3,4-dihydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl}-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanamideFormula:
C21H28O9N6Smiles:
Cc1cn(C2OC(C(N=C(O)C(N)C(C)C(O)c3ccc(O)cn3)C(=N)O)C(O)C2O)c(=O)nc1OAglycone:
CC(C(N)C(O)=NCC(=N)O)C(O)c1ccc(O)cn1.Cc1c[nH]c(=O)nc1OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 508.49 | Num_heavy_atoms: | 36 |
| TPSA: | 260.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD08955
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)nc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD58837
Formula: C12H18O4N4
Smiles:
CC(C(N)C(O)=NCC(=N)O)C(O)c1ccc(O)cn1| HBA: | 8 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 282.3 | Num_heavy_atoms: | 20 |
| TPSA: | 156.04 | NumAromaticRings: | 1 |
