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

Systemtic Name: (3S)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-3-oxidanyl-2H-chromen-4-one Openeye Name: (3S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]chroman-4-one CAS Name: (3S)-5-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one Traditional Name: (3S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3-hydroxy-7-methoxy-3-p-anisyl-chroman-4-one Formula: C30H38O15 MolecularWeight: 638.61372

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C4C(=CC(=C3)OC)OCC(C4=O)(CC5=CC=C(C=C5)OC)O)CO)O)O)O)O)O

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C(=CC(=C3)OC)OC[C@](C4=O)(CC5=CC=C(C=C5)OC)O)CO)O)O)O)O)O

InChI

InChI=1S/C30H38O15/c1-13-21(32)23(34)25(36)28(42-13)45-26-24(35)22(33)19(11-31)44-29(26)43-18-9-16(40-3)8-17-20(18)27(37)30(38,12-41-17)10-14-4-6-15(39-2)7-5-14/h4-9,13,19,21-26,28-29,31-36,38H,10-12H2,1-3H3/t13-,19+,21-,22+,23+,24-,25+,26+,28-,29+,30-/m0/s1