Glycoside
GD038928
Name:
uridine-diphosphate-3(n-acetylglucosaminyl)butyric acidFormula:
C21H33O19N3P2Smiles:
CCC(O[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)=O)C(=O)OAglycone:
CCC(O)C(=O)O.COP(=O)(O)OP(=O)(O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
CC(=O)NC1OOC(CO)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | -3.76 | Num_rotatable_bonds: | 14 |
| MolWt: | 693.45 | Num_heavy_atoms: | 45 |
| TPSA: | 332.16 | 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 |
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 |
AD24191
Formula: C4H8O3
Smiles:
CCC(O)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 104.1 | Num_heavy_atoms: | 7 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
