Glycoside
GD034137
Name:
(5-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]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:
C35H38O16Smiles:
COc1cc(C=CC(=O)OC[C@@]23O[C@H]2[C@H](OC(=O)C=Cc2ccc(O)c(OC)c2)[C@@H]2C=CO[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]23)ccc1OAglycone:
COc1cc(C=CC(=O)OCC23OC2C(OC(=O)C=Cc2ccc(O)c(OC)c2)C2C=COC(O)C23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 12 |
| MolWt: | 714.67 | Num_heavy_atoms: | 51 |
| TPSA: | 232.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD21732
Formula: C29H28O11
Smiles:
COc1cc(C=CC(=O)OCC23OC2C(OC(=O)C=Cc2ccc(O)c(OC)c2)C2C=COC(O)C23)ccc1O| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 552.53 | Num_heavy_atoms: | 40 |
| TPSA: | 153.51 | NumAromaticRings: | 2 |
