Glycoside
GD040340
Name:
((2s,3s,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3-(2- ((((2r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)- 3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)-4- hydroxytetrahydrofuran-2-yl)methyl phosphateFormula:
C20H26O14N5PSmiles:
O=C(C[C@H]1[C@@H](COP(=O)(O)O)O[C@H](n2ccc(=O)[nH]c2=O)[C@H]1O)NC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1OAglycone:
CNC(=O)CC1C(COP(=O)(O)O)OC(n2ccc(=O)[nH]c2=O)C1O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -4.8 | Num_rotatable_bonds: | 9 |
| MolWt: | 591.42 | Num_heavy_atoms: | 40 |
| TPSA: | 284.73 | NumAromaticRings: | 2 |
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 |
AD24726
Formula: C12H18O9N3P
Smiles:
CNC(=O)CC1C(COP(=O)(O)O)OC(n2ccc(=O)[nH]c2=O)C1O| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 379.26 | Num_heavy_atoms: | 25 |
| TPSA: | 180.18 | NumAromaticRings: | 1 |
