Glycoside
GD039142
Name:
agropinic acidFormula:
C11H17O8NSmiles:
O=C(O)[C@H]1C=CC(=O)N1C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)COAglycone:
CN1C(=O)C=CC1C(=O)OSugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -3.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 291.26 | Num_heavy_atoms: | 20 |
| TPSA: | 158.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD24292
Formula: C6H7O3N
Smiles:
CN1C(=O)C=CC1C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 141.13 | Num_heavy_atoms: | 10 |
| TPSA: | 57.61 | NumAromaticRings: | 0 |
