Glycoside
GD107185
Name:
4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}(3,4,5-trimethoxyphenyl)methyl)oxolan-2-oneFormula:
C28H34O13Smiles:
COc1cc([C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OCAglycone:
COc1cc(C(O)C2C(=O)OCC2Cc2ccc3c(c2)OCO3)cc(OC)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 10 |
| MolWt: | 578.57 | Num_heavy_atoms: | 41 |
| TPSA: | 171.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD44287
Formula: C22H24O8
Smiles:
COc1cc(C(O)C2C(=O)OCC2Cc2ccc3c(c2)OCO3)cc(OC)c1OC| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 416.43 | Num_heavy_atoms: | 30 |
| TPSA: | 92.68 | NumAromaticRings: | 2 |
