Glycoside
GD040399
Name:
6-(1-beta-d-glucopyranosyloxymethyl)-n-(5'-deoxyluridine-5'-yl)picolinamideFormula:
C22H28O12N4Smiles:
O=C(NC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)c1cccc(CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)n1Aglycone:
CNC(=O)c1cccc(CO)n1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -4.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 540.48 | Num_heavy_atoms: | 38 |
| TPSA: | 245.92 | 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 |
AD18384
Formula: C8H10O2N2
Smiles:
CNC(=O)c1cccc(CO)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 62.22 | NumAromaticRings: | 1 |
