Glycoside
GD039974
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-[6-carbamothioyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphateFormula:
C10H14O9N3PSSmiles:
NC(=S)c1cc(=O)[nH]c(=O)n1[C@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]1OAglycone:
COP(=O)(O)O.NC(=S)c1cc(=O)[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -3.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 383.28 | Num_heavy_atoms: | 24 |
| TPSA: | 197.33 | 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 |
AD24619
Formula: C5H5O2N3S
Smiles:
NC(=S)c1cc(=O)[nH]c(=O)[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 171.18 | Num_heavy_atoms: | 11 |
| TPSA: | 91.74 | NumAromaticRings: | 1 |
