Glycoside
GD040143
Name:
4-diphosphocytidyl-2-c-methyl-d-erythritol 2-phosphateFormula:
C14H26O17N3P3Smiles:
C[C@@](CO)(OP(=O)(O)O)[C@@H](O)CO[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)O[PH](=O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
CC(CO)(OP(=O)(O)O)C(O)O.OOCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.71 |
| AlogP: | -3.08 | Num_rotatable_bonds: | 13 |
| MolWt: | 601.29 | Num_heavy_atoms: | 37 |
| TPSA: | 320.11 | 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 |
AD02733
Formula: CH6O6P2
Smiles:
COP(=O)(O)O[PH](=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 176.0 | Num_heavy_atoms: | 9 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
