Glycoside
GD116209
Name:
[4-(acetyloxy)-3-hydroxy-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]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C32H44O21Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3C(OC4OCC(O)C(O)C4O)COC(OC4COC(O)C(O)C4O)C3O)C(OC(C)=O)C2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1Sugarmoiety:
CC(=O)OC1C(OC2C(OC3OCC(O)C(O)C3O)COC(OC3COC(O)C(O)C3O)C2O)OC(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.69 |
| AlogP: | -4.64 | Num_rotatable_bonds: | 12 |
| MolWt: | 764.68 | Num_heavy_atoms: | 53 |
| TPSA: | 308.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
