Glycoside
GD007350
Name:
NoneFormula:
C26H32O12N2Smiles:
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(N)=O)[C@H]1C=Cc1ccc[n+]([C@H](CCC(=O)O)C(=O)[O-])c1Aglycone:
C=CC1C(O)OC=C(C(N)=O)C1C=Cc1ccc[n+](C(CCC(=O)O)C(=O)[O-])c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -2.9 | Num_rotatable_bonds: | 12 |
| MolWt: | 564.54 | Num_heavy_atoms: | 40 |
| TPSA: | 233.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD05995
Formula: C20H22O7N2
Smiles:
C=CC1C(O)OC=C(C(N)=O)C1C=Cc1ccc[n+](C(CCC(=O)O)C(=O)[O-])c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 402.4 | Num_heavy_atoms: | 29 |
| TPSA: | 153.86 | NumAromaticRings: | 1 |
