Glycoside
GD037798
Name:
5-phenyl-uridine-5'-alpha-d-galactosyl-diphosphateFormula:
C21H28O17N2P2Smiles:
O=c1[nH]c(=O)n([C@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)cc1-c1ccccc1Aglycone:
COP(=O)(O)OP(=O)(O)O.O=c1[nH]cc(-c2ccccc2)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -3.13 | Num_rotatable_bonds: | 10 |
| MolWt: | 642.4 | Num_heavy_atoms: | 42 |
| TPSA: | 296.99 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD02171
Formula: C10H8O2N2
Smiles:
O=c1[nH]cc(-c2ccccc2)c(=O)[nH]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 188.19 | Num_heavy_atoms: | 14 |
| TPSA: | 65.72 | NumAromaticRings: | 2 |
