Glycoside
GD017378
Name:
ACHYRODIMER EFormula:
C40H44O18Smiles:
COC1=CC(=O)O[C@]2(C=Cc3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)[C@H]1[C@H](c1ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc1)[C@H]2c1cc(OC)cc(=O)o1Aglycone:
COC1=CC(=O)OC2(C=Cc3ccc(O)cc3)C1C(c1ccc(O)cc1)C2c1cc(OC)cc(=O)o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 12 |
| MolWt: | 812.77 | Num_heavy_atoms: | 58 |
| TPSA: | 273.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD12405
Formula: C28H24O8
Smiles:
COC1=CC(=O)OC2(C=Cc3ccc(O)cc3)C1C(c1ccc(O)cc1)C2c1cc(OC)cc(=O)o1| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 488.49 | Num_heavy_atoms: | 36 |
| TPSA: | 115.43 | NumAromaticRings: | 3 |
