Glycoside
GD037735
Name:
(e)-n-{[4-oxo-1-(5-o-phosphono-beta-d-arabinofuranosyl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]methylidene}glycineFormula:
C12H16O10N3PSSmiles:
O=C(O)CN=Cc1cn([C@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c(=S)[nH]c1=OAglycone:
COP(=O)(O)O.O=C(O)CN=Cc1c[nH]c(=S)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 425.31 | Num_heavy_atoms: | 27 |
| TPSA: | 203.9 | 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 |
AD23716
Formula: C7H7O3N3S
Smiles:
O=C(O)CN=Cc1c[nH]c(=S)[nH]c1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 213.22 | Num_heavy_atoms: | 14 |
| TPSA: | 98.31 | NumAromaticRings: | 1 |
