Glycoside
GD138868
Name:
2-[3,4-dihydroxy-5-({3-hydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxan-4-yl}oxy)oxolan-2-yl]propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)-2-methylbut-2-enoateFormula:
C34H50O20Smiles:
COc1cc(C(C)=C(C)C(=O)OC(C)(C)C2OC(OC3C(OC4OCC(O)C(O)C4O)COC(OC4COC(O)C(O)C4O)C3O)C(O)C2O)ccc1OAglycone:
COc1cc(C(C)=C(C)C(=O)OC(C)C)ccc1OSugarmoiety:
OC1COC(OC2COC(OC3COC(O)C(O)C3O)C(O)C2OC2OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.74 |
| AlogP: | -3.66 | Num_rotatable_bonds: | 11 |
| MolWt: | 778.75 | Num_heavy_atoms: | 54 |
| TPSA: | 302.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD56028
Formula: C15H20O4
Smiles:
COc1cc(C(C)=C(C)C(=O)OC(C)C)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
