Glycoside
GD001712
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)[O-])[C@H]1C=Cc1cc(C(=O)O)c[n+]([C@H](C(=O)O)[C@H](C)CC)c1Aglycone:
C=CC1C(O)OC=C(C(=O)[O-])C1C=Cc1cc(C(=O)O)c[n+](C(C(=O)O)C(C)CC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 12 |
| MolWt: | 593.58 | Num_heavy_atoms: | 42 |
| TPSA: | 227.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD01685
Formula: C22H25O8N
Smiles:
C=CC1C(O)OC=C(C(=O)[O-])C1C=Cc1cc(C(=O)O)c[n+](C(C(=O)O)C(C)CC)c1| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 431.44 | Num_heavy_atoms: | 31 |
| TPSA: | 148.07 | NumAromaticRings: | 1 |
