Glycoside
GD040451
Name:
[(2r,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen (s)-{3-[(2r,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]propyl}phosphonateFormula:
C18H29O13N2PSmiles:
O=c1ccn([C@H]2O[C@H](COP(=O)(O)CCC[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
CCCP(=O)(O)OC.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.78 |
| AlogP: | -4.02 | Num_rotatable_bonds: | 9 |
| MolWt: | 512.41 | Num_heavy_atoms: | 34 |
| TPSA: | 241.23 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD24772
Formula: C4H11O3P
Smiles:
CCCP(=O)(O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 138.1 | Num_heavy_atoms: | 8 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
