Glycoside
GD066987
Name:
NoneFormula:
C17H25O6N2Smiles:
Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
Cc1ccc2c(c1)C([NH3+])CCCN2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 353.4 | Num_heavy_atoms: | 25 |
| TPSA: | 145.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD32022
Formula: C11H17N2
Smiles:
Cc1ccc2c(c1)C([NH3+])CCCN2| HBA: | 2 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 0 |
| MolWt: | 177.27 | Num_heavy_atoms: | 13 |
| TPSA: | 39.67 | NumAromaticRings: | 1 |
