Glycoside
GD037648
Name:
5'-o-[(s)-{[(r)-(2-aminoethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidineFormula:
C11H20O10N4P2Smiles:
NCC[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@H](n2ccc(N)nc2=O)[C@@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)CCN.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -2.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 430.25 | Num_heavy_atoms: | 27 |
| TPSA: | 229.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD23683
Formula: C3H11O6NP2
Smiles:
COP(=O)(O)OP(=O)(O)CCN| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 219.07 | Num_heavy_atoms: | 12 |
| TPSA: | 119.08 | NumAromaticRings: | 0 |
