[(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(3aR,3'aS,4R,6R,6'R,7S,7'R,7aS,7'aR)-6-methyl-7-oxidanyl-7'-propanoyloxy-spiro[3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4,2'-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6'-yl]oxy-5-methoxy-2-(methoxymethyl)-4-oxidanyl-oxan-3-yl]oxy-5-methoxy-6-methyl-3-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] 2-

Systemtic Name: [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(3aR,3'aS,4R,6R,6'R,7S,7'R,7aS,7'aR)-6-methyl-7-oxidanyl-7'-propanoyloxy-spiro[3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4,2'-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6'-yl]oxy-5-methoxy-2-(methoxymethyl)-4-oxidanyl-oxan-3-yl]oxy-5-methoxy-6-methyl-3-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] 2- Openeye Name: [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(3aR,3'aS,4R,6R,6'R,7S,7'R,7aS,7'aR)-7-hydroxy-6-methyl-7'-propanoyloxy-spiro[3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4,2'-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6'-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydropyran-3-yl]oxy-3-hydroxy-5-methoxy-6-methyl-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-hydr CAS Name: 2,4-dihydroxy-6-methylbenzoic acid [(2R,3S,4R,6S)-6-[[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[[(2S,3R,4R,5S,6R)-2-[[(2R,3S,4S,5S,6S)-6-[[(3aR,3'aS,4R,6R,6'R,7S,7'R,7aS,7'aR)-7-hydroxy-6-methyl-7'-(1-oxopropoxy)-6'-spiro[3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4,2'-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran]yl]oxy]-4-hydroxy-5-methoxy-2-(methoxymethyl)-3-oxanyl]oxy]-3-hydroxy-5-methoxy-6-methyl-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]yl]o IUPAC Name: [(2R,3S,4R,6S)-6-[(2'R,3'S,3aR,4R,4'R,6S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(3aR,3'aS,4R,6R,6'R,7S,7'R,7aS,7'aR)-7-hydroxy-6-methyl-7'-propanoyloxyspiro[3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4,2'-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6'-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-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] 2,4-dihydrox Traditional Name: 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,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(3aR,3'aS,4R,6R,6'R,7S,7'R,7aS,7'aR)-7-hydroxy-6-methyl-7'-propionyloxy-spiro[3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4,2'-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6'-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydropyran-3-yl]oxy-3-hydroxy-5-methoxy-6-methyl-tetrahydropyran-4-yl]oxy-4'-hydroxy-2',4,7a-trimethyl-spiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2, Formula: C57H84O31 MolecularWeight: 1265.25826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1C2C(COC1OC3C(C(C(C(O3)COC)OC4C(C(C(C(O4)C)OC)OC5CC6(C(C(O5)C)OC7(O6)CC(C(C(O7)C)OC8CC(C(C(O8)C)OC(=O)C9=C(C=C(C=C9C)O)O)O)O)C)O)O)OC)OC1(O2)C2C(C(C(O1)C)O)OCO2

Isomeric SMILES

CCC(=O)O[C@@H]1[C@H]2[C@H](CO[C@@H]1O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)COC)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)C)OC)O[C@H]5C[C@@]6([C@@H]([C@H](O5)C)OC7(O6)C[C@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)OC(=O)C9=C(C=C(C=C9C)O)O)O)O)C)O)O)OC)O[C@@]1(O2)[C@H]2[C@H]([C@H]([C@H](O1)C)O)OCO2

InChI

InChI=1S/C57H84O31/c1-12-33(62)77-48-44-32(85-57(86-44)50-46(71-20-72-50)37(63)22(3)84-57)19-70-53(48)82-54-47(69-11)38(64)43(31(76-54)18-67-9)81-52-39(65)45(42(68-10)24(5)75-52)79-35-17-55(8)49(26(7)74-35)87-56(88-55)16-30(61)41(25(6)83-56)78-34-15-29(60)40(23(4)73-34)80-51(66)36-21(2)13-27(58)14-28(36)59/h13-14,22-26,29-32,34-35,37-50,52-54,58-61,63-65H,12,15-20H2,1-11H3/t22-,23-,24-,25-,26-,29-,30-,31-,32+,34+,35+,37+,38+,39-,40-,41-,42+,43-,44-,45-,46+,47+,48-,49-,50-,52+,53-,54+,55-,56?,57-/m1/s1