2-[3,4-bis(oxidanyl)phenyl]-3-[(3R,4R,6R)-5-[(1S,2R,3S,4R,5S)-4-[[(4S,5S,6S)-3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-yl]amino]-5-methyl-2,3-bis(oxidanyl)cyclohexyl]oxy-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4-bis(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one

Systemtic Name: 2-[3,4-bis(oxidanyl)phenyl]-3-[(3R,4R,6R)-5-[(1S,2R,3S,4R,5S)-4-[[(4S,5S,6S)-3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-yl]amino]-5-methyl-2,3-bis(oxidanyl)cyclohexyl]oxy-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4-bis(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one Openeye Name: 3-[(3R,4R,6R)-5-[(1S,2R,3S,4R,5S)-2,3-dihydroxy-5-methyl-4-[[(4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexoxy]-3,4-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one CAS Name: 3-[[(3R,4R,6R)-5-[(1S,2R,3S,4R,5S)-2,3-dihydroxy-5-methyl-4-[[(4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]cyclohexyl]oxy-3,4-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one IUPAC Name: 3-[(3R,4R,6R)-5-[(1S,2R,3S,4R,5S)-2,3-dihydroxy-5-methyl-4-[[(4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-3,4-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one Traditional Name: 3-[(3R,4R,6R)-5-[(1S,2R,3S,4R,5S)-2,3-dihydroxy-5-methyl-4-[[(4S,5S,6S)-4,5,6-trihydroxy-3-methylol-cyclohex-2-en-1-yl]amino]cyclohexoxy]-3,4-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone Formula: C41H53NO22 MolecularWeight: 911.85302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1NC2C=C(C(C(C2O)O)O)CO)O)O)OC3C(OC(C(C3O)O)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC(=C(C=C6)O)O)COC7C(C(C(C(O7)C)O)O)O

Isomeric SMILES

C[C@H]1C[C@@H]([C@@H]([C@H]([C@@H]1NC2C=C([C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)OC3[C@H](OC([C@@H]([C@H]3O)O)OC4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC(=C(C=C6)O)O)CO[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O

InChI

InChI=1S/C41H53NO22/c1-12-5-22(29(51)31(53)25(12)42-17-6-15(10-43)27(49)33(55)28(17)50)62-38-23(11-59-40-35(57)32(54)26(48)13(2)60-40)63-41(36(58)34(38)56)64-39-30(52)24-20(47)8-16(44)9-21(24)61-37(39)14-3-4-18(45)19(46)7-14/h3-4,6-9,12-13,17,22-23,25-29,31-36,38,40-51,53-58H,5,10-11H2,1-2H3/t12-,13-,17?,22-,23+,25+,26-,27-,28-,29-,31-,32+,33-,34+,35+,36+,38?,40+,41?/m0/s1