Glycoside
GD154737
Name:
(5-{[3,5-bis(acetyloxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C35H44O19Smiles:
COc1cc(C=CC(=O)OCC23OC2C(OC2OC(C)C(OC(C)=O)C(O)C2OC(C)=O)C2C=COC(OC4OC(CO)C(O)C(O)C4O)C23)ccc1OAglycone:
COc1cc(C=CC(=O)OCC23OC2C(O)C2C=COC(O)C23)ccc1OSugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 12 |
| MolWt: | 768.72 | Num_heavy_atoms: | 54 |
| TPSA: | 268.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD10100
Formula: C19H20O8
Smiles:
COc1cc(C=CC(=O)OCC23OC2C(O)C2C=COC(O)C23)ccc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.36 | Num_heavy_atoms: | 27 |
| TPSA: | 117.98 | NumAromaticRings: | 1 |
