Glycoside
GD028879
Name:
NoneFormula:
C25H31O13NSmiles:
CC=C1[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]1CC(=O)OCCc1ccc([N+](=O)[O-])cc1Aglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc([N+](=O)[O-])cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 10 |
| MolWt: | 553.52 | Num_heavy_atoms: | 39 |
| TPSA: | 204.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD18593
Formula: C19H21O8N
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc([N+](=O)[O-])cc1| HBA: | 9 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.37 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 391.38 | Num_heavy_atoms: | 28 |
| TPSA: | 125.2 | NumAromaticRings: | 1 |
