[(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4S,5S)-2-[(2R,3S,4R,5S,6S)-6-[(2R,3aS,3'aR,6R,6'R,7R,7'S,7aR,7'aR)-7'-ethanoyl-6'-methyl-7-(2-methylpropanoyloxy)-7'-oxidanyl-spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-2',4,7a-trimethyl-4'-oxidanyl-spiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl] 3,5-

Systemtic Name: [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4S,5S)-2-[(2R,3S,4R,5S,6S)-6-[(2R,3aS,3'aR,6R,6'R,7R,7'S,7aR,7'aR)-7'-ethanoyl-6'-methyl-7-(2-methylpropanoyloxy)-7'-oxidanyl-spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-2',4,7a-trimethyl-4'-oxidanyl-spiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl] 3,5- Openeye Name: [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4S,5S)-2-[(2R,3S,4R,5S,6S)-6-[(2R,3aS,3'aR,6R,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7'-hydroxy-6'-methyl-7-(2-methylpropanoyloxy)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-tetrahydropyran-4-yl]oxy-4'-hydroxy-2',4,7a-trimethyl-spiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-tetrahydropyran]-3'-yl]oxy-4-hydroxy-2-met CAS Name: 3,5-dichloro-2,4-dihydroxy-6-methylbenzoic acid [(2R,3S,4R,6S)-6-[[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[[(2S,3R,4S,5S)-2-[[(2R,3S,4R,5S,6S)-6-[[(2R,3aS,3'aR,6R,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7'-hydroxy-6'-methyl-7-(2-methyl-1-oxopropoxy)-6-spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-3,5-dihydroxy-4-oxanyl]oxy]-4'-hydroxy-2',4,7a-trimethyl-3'-spiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane] IUPAC Name: [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4S,5S)-2-[(2R,3S,4R,5S,6S)-6-[(2R,3aS,3'aR,6R,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7'-hydroxy-6'-methyl-7-(2-methylpropanoyloxy)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-4'-hydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-hydroxy-2-methyloxan-3-yl] 3,5-dichloro-2,4-dih Traditional Name: 3,5-dichloro-2,4-dihydroxy-6-methyl-benzoic acid [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4S,5S)-2-[(2R,3S,4R,5S,6S)-6-[(2R,3aS,3'aR,6R,6'R,7R,7'S,7aR,7'aR)-7'-acetyl-7'-hydroxy-7-isobutyryloxy-6'-methyl-spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-tetrahydropyran-4-yl]oxy-4'-hydroxy-2',4,7a-trimethyl-spiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-tetrahy Formula: C56H78Cl2O32 MolecularWeight: 1334.10532

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2C(OC3(CC2O)OC4C(OC(CC4(O3)C)OC5C(COC(C5O)OC6C(OC(C(C6O)O)OC7C(C8C(CO7)OC9(O8)C1C(C(C(O9)C)(C(=O)C)O)OCO1)OC(=O)C(C)C)CO)O)C)C)O)OC(=O)C1=C(C(=C(C(=C1O)Cl)O)Cl)C

Isomeric SMILES

C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H](OC3(C[C@H]2O)O[C@@H]4[C@H](O[C@H](C[C@]4(O3)C)O[C@H]5[C@H](CO[C@H]([C@@H]5O)O[C@@H]6[C@H](O[C@H]([C@H]([C@H]6O)O)O[C@@H]7[C@@H]([C@H]8[C@H](CO7)O[C@@]9(O8)[C@H]1[C@H]([C@@]([C@H](O9)C)(C(=O)C)O)OCO1)OC(=O)C(C)C)CO)O)C)C)O)OC(=O)C1=C(C(=C(C(=C1O)Cl)O)Cl)C

InChI

InChI=1S/C56H78Cl2O32/c1-17(2)48(69)82-44-43-28(87-56(88-43)47-46(74-16-75-47)55(71,22(7)60)23(8)86-56)15-73-52(44)84-51-37(67)36(66)42(27(13-59)78-51)83-50-38(68)41(26(63)14-72-50)80-30-12-53(9)45(21(6)77-30)89-54(90-53)11-25(62)40(20(5)85-54)79-29-10-24(61)39(19(4)76-29)81-49(70)31-18(3)32(57)35(65)33(58)34(31)64/h17,19-21,23-30,36-47,50-52,59,61-68,71H,10-16H2,1-9H3/t19-,20-,21-,23-,24-,25-,26+,27-,28+,29+,30+,36-,37+,38-,39-,40-,41+,42-,43-,44-,45-,46-,47-,50+,51+,52-,53-,54?,55+,56-/m1/s1