Glycoside
GD154123
Name:
2-{3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl]oxolan-2-yl}-2-acetamidoacetic acidFormula:
C13H17O9N3Smiles:
CC(O)=NC(C(=O)O)C1OC(n2cc(CO)c(O)nc2=O)C(O)C1OAglycone:
CC(O)=NCC(=O)O.O=c1nc(O)c(CO)c[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 359.29 | Num_heavy_atoms: | 25 |
| TPSA: | 194.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD48114
Formula: C5H6O3N2
Smiles:
O=c1nc(O)c(CO)c[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.11 | Num_heavy_atoms: | 10 |
| TPSA: | 86.21 | NumAromaticRings: | 1 |
AD61256
Formula: C4H7O3N
Smiles:
CC(O)=NCC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 117.1 | Num_heavy_atoms: | 8 |
| TPSA: | 69.89 | NumAromaticRings: | 0 |
