Glycoside
GD132812
Name:
({5-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]-2,3,4-trihydroxyoxolan-2-yl}methoxy)phosphonic acidFormula:
C10H15O10N2PSmiles:
O=c1nc(O)ccn1CC1OC(O)(COP(=O)(O)O)C(O)C1OAglycone:
COP(=O)(O)O.Cn1ccc(O)nc1=OSugarmoiety:
OC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -3.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 354.21 | Num_heavy_atoms: | 23 |
| TPSA: | 191.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD45166
Formula: C5H6O2N2
Smiles:
Cn1ccc(O)nc1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 55.12 | NumAromaticRings: | 1 |
