Glycoside
GD139649
Name:
3-({4-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3-methoxyphenyl}methyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(hydroxymethyl)oxolan-2-oneFormula:
C28H36O12Smiles:
COc1ccc(C2OC(=O)C(O)(Cc3ccc(OC4OC(C)C(O)C(OC)C4O)c(OC)c3)C2CO)cc1OCAglycone:
COc1cc(CC2(O)C(=O)OC(c3ccc(OC)c(OC)c3)C2CO)ccc1OSugarmoiety:
COC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 10 |
| MolWt: | 564.58 | Num_heavy_atoms: | 40 |
| TPSA: | 162.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD56313
Formula: C21H24O8
Smiles:
COc1cc(CC2(O)C(=O)OC(c3ccc(OC)c(OC)c3)C2CO)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 404.42 | Num_heavy_atoms: | 29 |
| TPSA: | 114.68 | NumAromaticRings: | 2 |
