Glycoside
GD003329
Name:
NoneFormula:
C16H19O8NSmiles:
O=C(C=Cc1cccc([N+](=O)[O-])c1)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(=O)C=Cc1cccc([N+](=O)[O-])c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 353.33 | Num_heavy_atoms: | 25 |
| TPSA: | 150.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD03033
Formula: C10H9O3N
Smiles:
CC(=O)C=Cc1cccc([N+](=O)[O-])c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 191.19 | Num_heavy_atoms: | 14 |
| TPSA: | 60.21 | NumAromaticRings: | 1 |
