Glycoside
GD038802
Name:
cytidine-5'-diphospho-beta-d-xyloseFormula:
C14H23O15N3P2Smiles:
Nc1ccn([C@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)O[C@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)n1Aglycone:
COP(=O)(O)OP(=O)(O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1COC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | -3.87 | Num_rotatable_bonds: | 8 |
| MolWt: | 535.29 | Num_heavy_atoms: | 34 |
| TPSA: | 282.81 | 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 |
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
