Glycoside
GD084929
Name:
NoneFormula:
C21H31O6N2Smiles:
O=C(Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
Nc1ccc2c(c1)CCC([NH+]1CCCC1)CC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -1.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 407.49 | Num_heavy_atoms: | 29 |
| TPSA: | 131.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD38007
Formula: C15H23N2
Smiles:
Nc1ccc2c(c1)CCC([NH+]1CCCC1)CC2| HBA: | 2 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 231.36 | Num_heavy_atoms: | 17 |
| TPSA: | 30.46 | NumAromaticRings: | 1 |
