Glycoside
GD007351
Name:
NoneFormula:
C28H35O13NSmiles:
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=Cc1cc(C(=O)O)c[n+]([C@H](C(=O)[O-])C(C)C)c1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1C=Cc1cc(C(=O)O)c[n+](C(C(=O)[O-])C(C)C)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 11 |
| MolWt: | 593.58 | Num_heavy_atoms: | 42 |
| TPSA: | 216.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD05996
Formula: C22H25O8N
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1C=Cc1cc(C(=O)O)c[n+](C(C(=O)[O-])C(C)C)c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 431.44 | Num_heavy_atoms: | 31 |
| TPSA: | 137.07 | NumAromaticRings: | 1 |
