Glycoside
GD038756
Name:
cytidine 5'-monophosphate 3-deoxy-beta-d-gulo-oct-2-ulo-pyranosonic acidFormula:
C17H26O15N3PSmiles:
Nc1ccn([C@H]2O[C@H](CO[P@@](=O)(O)O[C@]3(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@@H](O)CO)O3)[C@@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
O=C(O)C1(O)CC(O)C(O)C(C(O)CO)O1.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.71 |
| AlogP: | -4.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 543.38 | Num_heavy_atoms: | 36 |
| TPSA: | 293.81 | 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 |
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 |
