Glycoside
GD136174
Name:
6-[2-(4-hydroxyphenyl)ethyl]-2-[2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethyl]-3,4-dihydro-2H-pyran-4-oneFormula:
C27H32O9Smiles:
O=C1C=C(CCc2ccc(O)cc2)OC(CCc2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)C1Aglycone:
O=C1C=C(CCc2ccc(O)cc2)OC(CCc2ccc(O)cc2)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 500.54 | Num_heavy_atoms: | 36 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD55043
Formula: C21H22O4
Smiles:
O=C1C=C(CCc2ccc(O)cc2)OC(CCc2ccc(O)cc2)C1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 338.4 | Num_heavy_atoms: | 25 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
