Glycoside
GD017197
Name:
2-[(4,5-dihydroxy-2-{3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenoxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C33H44O16Smiles:
COc1cc(C=Cc2ccc(O)cc2)cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
COc1cc(O)cc(C=Cc2ccc(O)cc2)c1Sugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.58 |
| AlogP: | -1.55 | Num_rotatable_bonds: | 10 |
| MolWt: | 696.7 | Num_heavy_atoms: | 49 |
| TPSA: | 246.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD02082
Formula: C15H14O3
Smiles:
COc1cc(O)cc(C=Cc2ccc(O)cc2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.27 | Num_heavy_atoms: | 18 |
| TPSA: | 49.69 | NumAromaticRings: | 2 |
