Glycoside
GD001713
Name:
NoneFormula:
C30H33O11NSmiles:
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1C=Cc1ccc[n+]([C@H](Cc2ccccc2)C(=O)[O-])c1Aglycone:
C=CC1C(O)OC=C(C(=O)O)C1C=Cc1ccc[n+](C(Cc2ccccc2)C(=O)[O-])c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 11 |
| MolWt: | 583.59 | Num_heavy_atoms: | 42 |
| TPSA: | 189.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD01686
Formula: C24H23O6N
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1C=Cc1ccc[n+](C(Cc2ccccc2)C(=O)[O-])c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 8 |
| MolWt: | 421.45 | Num_heavy_atoms: | 31 |
| TPSA: | 110.77 | NumAromaticRings: | 2 |
