Glycoside
GD004967
Name:
NoneFormula:
C25H31O11NSmiles:
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)OC)[C@H]1C=Cc1ccc[n+]([C@H](C)C(=O)[O-])c1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1C=Cc1ccc[n+](C(C)C(=O)[O-])c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 521.52 | Num_heavy_atoms: | 37 |
| TPSA: | 178.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD04266
Formula: C19H21O6N
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1C=Cc1ccc[n+](C(C)C(=O)[O-])c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.32 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 359.38 | Num_heavy_atoms: | 26 |
| TPSA: | 99.77 | NumAromaticRings: | 1 |
