Glycoside
GD156854
Name:
2-{6-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,6-dihydropyridin-2-yl}acetic acidFormula:
C13H17O8NSmiles:
O=C(O)Cc1cccc(=O)n1C1OC(CO)C(O)C(O)C1OAglycone:
O=C(O)Cc1cccc(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 315.28 | Num_heavy_atoms: | 22 |
| TPSA: | 149.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD62066
Formula: C7H7O3N
Smiles:
O=C(O)Cc1cccc(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 153.14 | Num_heavy_atoms: | 11 |
| TPSA: | 70.16 | NumAromaticRings: | 1 |
