Glycoside
GD017762
Name:
3,4,5-trihydroxy-6-{[1-methyl-2-oxo-5-(pyridin-3-yl)pyrrolidin-3-yl]oxy}oxane-2-carboxylic acidFormula:
C16H20O8N2Smiles:
CN1C(=O)[C@H](OC2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)C[C@H]1c1cccnc1Aglycone:
CN1C(=O)C(O)CC1c1cccnc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 368.34 | Num_heavy_atoms: | 26 |
| TPSA: | 149.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD12640
Formula: C10H12O2N2
Smiles:
CN1C(=O)C(O)CC1c1cccnc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.22 | Num_heavy_atoms: | 14 |
| TPSA: | 53.43 | NumAromaticRings: | 1 |
