Glycoside
GD151507
Name:
7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-[4-methoxy-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-1-en-1-yl]-2,3-dihydro-1-benzofuran-3-oneFormula:
C27H32O12Smiles:
COCC(C=Cc1cc(O)c2c(c1)C(=O)C(c1ccc(O)c(OC)c1)O2)COC1OC(CO)C(O)C(O)C1OAglycone:
COCC(C=Cc1cc(O)c2c(c1)C(=O)C(c1ccc(O)c(OC)c1)O2)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 548.54 | Num_heavy_atoms: | 39 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD60416
Formula: C21H22O7
Smiles:
COCC(C=Cc1cc(O)c2c(c1)C(=O)C(c1ccc(O)c(OC)c1)O2)CO| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 386.4 | Num_heavy_atoms: | 28 |
| TPSA: | 105.45 | NumAromaticRings: | 2 |
