Glycoside
GD040258
Name:
uridine-5'-diphosphate-3-n-(r-3-hydroxylauroyl)-n-acetyl-d-glucosamineFormula:
C29H50O18N4P2Smiles:
CCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](O)[C@H](CO)O[C@H](O[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@@H]1NC(C)=OAglycone:
CCCCCCCCCC(O)CC(=O)NC1C(O)C(CO)OC(OP(=O)(O)OP(=O)(O)OC)C1NC(C)=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.79 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 21 |
| MolWt: | 804.68 | Num_heavy_atoms: | 53 |
| TPSA: | 334.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD24709
Formula: C21H42O13N2P2
Smiles:
CCCCCCCCCC(O)CC(=O)NC1C(O)C(CO)OC(OP(=O)(O)OP(=O)(O)OC)C1NC(C)=O| HBA: | 15 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 18 |
| MolWt: | 592.52 | Num_heavy_atoms: | 38 |
| TPSA: | 230.41 | NumAromaticRings: | 0 |
