Glycoside
GD047386
Name:
NoneFormula:
C14H18O6N2Smiles:
O=C(/N=c1\cc[nH]c2c1CCC2)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
N=c1cc[nH]c2c1CCC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 310.31 | Num_heavy_atoms: | 22 |
| TPSA: | 143.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD25488
Formula: C8H10N2
Smiles:
N=c1cc[nH]c2c1CCC2| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.18 | Num_heavy_atoms: | 10 |
| TPSA: | 39.64 | NumAromaticRings: | 1 |
