Glycoside
GD148125
Name:
4-(acetyloxy)-3-{[4-(acetyloxy)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-2-yl 3-hydroxy-3-(hydroxymethyl)-5'-methyl-4'-[(3-phenylprop-2-enoyl)oxy]-hexahydro-3H-spiro[1-benzofuran-2,2'-oxane]-6-carboxylateFormula:
C40H54O19Smiles:
CC(=O)OC1C(O)C(C)OC(OC2C(OC(=O)C3CCC4C(C3)OC3(CC(OC(=O)C=Cc5ccccc5)C(C)CO3)C4(O)CO)OC(CO)C(O)C2OC(C)=O)C1OAglycone:
CC1COC2(CC1OC(=O)C=Cc1ccccc1)OC1CC(C(=O)O)CCC1C2(O)COSugarmoiety:
CC(=O)OC1C(O)C(C)OC(OC2C(O)OC(CO)C(O)C2OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 11 |
| MolWt: | 838.85 | Num_heavy_atoms: | 59 |
| TPSA: | 272.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD44997
Formula: C24H30O8
Smiles:
CC1COC2(CC1OC(=O)C=Cc1ccccc1)OC1CC(C(=O)O)CCC1C2(O)CO| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 446.5 | Num_heavy_atoms: | 32 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
