Glycoside
GD115554
Name:
4-fluoro-3-hydroxy-3,4-dimethyl-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl 2-amino-2-methylpropanoateFormula:
C15H22O6N3FSmiles:
Cc1cn(C2OC(OC(=O)C(C)(C)N)C(C)(O)C2(C)F)c(=O)nc1OAglycone:
CC(C)(N)C(=O)O.Cc1c[nH]c(=O)nc1OSugarmoiety:
CC1(O)C(O)OC(O)C1(C)FOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 359.35 | Num_heavy_atoms: | 25 |
| TPSA: | 136.9 | NumAromaticRings: | 1 |
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 |
AD45734
Formula: C4H9O2N
Smiles:
CC(C)(N)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 103.12 | Num_heavy_atoms: | 7 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
