Glycoside
GD035951
Name:
NoneFormula:
C28H28O12N2Smiles:
O=C(CCc1ccc(O)c(N=Cc2ccc([N+](=O)[O-])cc2)c1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(CCc1ccc(O)c(N=Cc2ccc([N+](=O)[O-])cc2)c1)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 10 |
| MolWt: | 584.53 | Num_heavy_atoms: | 42 |
| TPSA: | 232.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD22718
Formula: C22H18O7N2
Smiles:
O=C(CCc1ccc(O)c(N=Cc2ccc([N+](=O)[O-])cc2)c1)c1c(O)cc(O)cc1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.09 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 7 |
| MolWt: | 422.39 | Num_heavy_atoms: | 31 |
| TPSA: | 153.49 | NumAromaticRings: | 3 |
