Glycoside
GD032731
Name:
3-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2-(hydroxymethyl)-2H,3H,9H-[1,4]dioxino[2,3-h]chromen-9-oneFormula:
C26H28O13Smiles:
COc1cc([C@@H]2Oc3ccc4ccc(=O)oc4c3O[C@H]2CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C2Oc3ccc4ccc(=O)oc4c3OC2CO)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 548.5 | Num_heavy_atoms: | 39 |
| TPSA: | 186.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD20949
Formula: C20H18O8
Smiles:
COc1cc(C2Oc3ccc4ccc(=O)oc4c3OC2CO)cc(OC)c1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 386.36 | Num_heavy_atoms: | 28 |
| TPSA: | 107.59 | NumAromaticRings: | 3 |
