Glycoside
GD152720
Name:
2-amino-2-[5-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acidFormula:
C10H12O7N3FSmiles:
NC(C(=O)O)C1OC(n2cc(F)c(O)nc2=O)C(O)C1OAglycone:
NCC(=O)O.O=c1nc(O)c(F)c[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 305.22 | Num_heavy_atoms: | 21 |
| TPSA: | 168.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD04649
Formula: C4H3O2N2F
Smiles:
O=c1nc(O)c(F)c[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.08 | Num_heavy_atoms: | 9 |
| TPSA: | 65.98 | NumAromaticRings: | 1 |
AD07773
Formula: C2H5O2N
Smiles:
NCC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 75.07 | Num_heavy_atoms: | 5 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
