3-[(2S,3S,4R,5S,6R)-5-[(3S,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)chromen-4-one

Systemtic Name: 3-[(2S,3S,4R,5S,6R)-5-[(3S,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)chromen-4-one Openeye Name: 3-[(2S,3S,4R,5S,6R)-3,4-dihydroxy-6-methyl-5-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one CAS Name: 3-[[(2S,3S,4R,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-1-benzopyran-4-one IUPAC Name: 3-[(2S,3S,4R,5S,6R)-3,4-dihydroxy-6-methyl-5-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one Traditional Name: 3-[(2S,3S,4R,5S,6R)-3,4-dihydroxy-6-methyl-5-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromone Formula: C33H40O15 MolecularWeight: 676.6617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O)O)C4=CC=C(C=C4)OC)O)O)OC5C(C(C(C(O5)CO)O)O)O

Isomeric SMILES

C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O)O)C4=CC=C(C=C4)OC)O)O)OC5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O

InChI

InChI=1S/C33H40O15/c1-13(2)5-10-17-18(35)11-19(36)21-23(38)31(29(46-30(17)21)15-6-8-16(43-4)9-7-15)48-32-27(42)25(40)28(14(3)44-32)47-33-26(41)24(39)22(37)20(12-34)45-33/h5-9,11,14,20,22,24-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22+,24-,25-,26+,27+,28-,32+,33?/m1/s1