Glycoside
GD071785
Name:
NoneFormula:
C19H31O7N2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H](CO)[N@H+](C)Cc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
C[NH+](Cc1ccccc1)C(CO)C(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -2.98 | Num_rotatable_bonds: | 9 |
| MolWt: | 399.46 | Num_heavy_atoms: | 28 |
| TPSA: | 132.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD33713
Formula: C13H21O3N2
Smiles:
C[NH+](Cc1ccccc1)C(CO)C(=O)NCCO| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 7 |
| MolWt: | 253.32 | Num_heavy_atoms: | 18 |
| TPSA: | 74.0 | NumAromaticRings: | 1 |
