Glycoside
GD136544
Name:
2-{[3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H26O9Smiles:
COc1ccc(C2COc3cc(OC4OC(CO)C(O)C(O)C4O)ccc3C2)c(O)c1Aglycone:
COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 434.44 | Num_heavy_atoms: | 31 |
| TPSA: | 138.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD55201
Formula: C16H16O4
Smiles:
COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 272.3 | Num_heavy_atoms: | 20 |
| TPSA: | 58.92 | NumAromaticRings: | 2 |
