Glycoside
GD153934
Name:
2-{[3-hydroxy-2-(4-hydroxyphenyl)-4,5-dimethoxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H36O11Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c(CC=C(C)C)c2c1C(OC)C(O)C(c1ccc(O)cc1)O2Aglycone:
COc1cc(O)c(CC=C(C)C)c2c1C(OC)C(O)C(c1ccc(O)cc1)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 548.59 | Num_heavy_atoms: | 39 |
| TPSA: | 167.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD61182
Formula: C22H26O6
Smiles:
COc1cc(O)c(CC=C(C)C)c2c1C(OC)C(O)C(c1ccc(O)cc1)O2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.44 | Num_heavy_atoms: | 28 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
