Glycoside
GD021341
Name:
NoneFormula:
C24H29O11NSmiles:
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](C)C(=O)[O-])c1Aglycone:
C=CC1C(O)OC=C(C(=O)O)C1C=Cc1ccc[n+](C(C)C(=O)[O-])c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 507.49 | Num_heavy_atoms: | 36 |
| TPSA: | 189.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD14610
Formula: C18H19O6N
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1C=Cc1ccc[n+](C(C)C(=O)[O-])c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 345.35 | Num_heavy_atoms: | 25 |
| TPSA: | 110.77 | NumAromaticRings: | 1 |
