Glycoside
GD039791
Name:
1-(o2-(2-methylamino-2-oxo-ethyl)-o5-hydroxyphosphinyl-beta-d-ribofuranosyl)thymineFormula:
C13H20O10N3PSmiles:
CNC(=O)CO[C@H]1[C@@H](O)[C@@H](COP(=O)(O)O)O[C@@H]1n1cc(C)c(=O)[nH]c1=OAglycone:
CNC(=O)CO.COP(=O)(O)O.Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -2.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 409.29 | Num_heavy_atoms: | 27 |
| TPSA: | 189.41 | 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 |
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD11181
Formula: C3H7O2N
Smiles:
CNC(=O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 89.09 | Num_heavy_atoms: | 6 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
