Glycoside
GD039366
Name:
1-(2-nitrophenyl)ethyl udp-galactoseFormula:
C22H30O19N3P2Smiles:
O=c1ccn([C@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](COCc4ccccc4[N+](=O)O)[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
COCc1ccccc1[N+](=O)O.COP(=O)(O)OP(=O)(O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 13 |
| MolWt: | 702.43 | Num_heavy_atoms: | 46 |
| TPSA: | 326.3 | NumAromaticRings: | 2 |
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 |
AD24374
Formula: C8H10O3N
Smiles:
COCc1ccccc1[N+](=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.17 | Num_heavy_atoms: | 12 |
| TPSA: | 49.54 | NumAromaticRings: | 1 |
