[(1r,2r,3s,4r,5s)-2-[(3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4,5-trihydroxycyclohexyl] (2s,3r,3as,4s,4's,5'r,6s,7ar)-3,3a,4,7a-tetrahydroxy-4'-(4-hydroxybenzoyl)oxy-5'-methylspiro[4,5,6,7-tetrahydro-3h-1-benzofuran-2,2'-oxane]-6-carboxylate

Structural Information

Molecular Formula

C₃₉H₅₆O₂₅

SMILES

C[C@@H]1CO[C@]2(C[C@@H]1OC(=O)C3=CC=C(C=C3)O)[C@@H]([C@]4([C@H](C[C@@H](C[C@]4(O2)O)C(=O)O[C@@H]5C[C@@H]([C@H]([C@@H]([C@H]5OC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)OC7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)O)O

InChI

InChI=1S/C39H56O25/c1-13-12-57-37(9-19(13)59-32(52)14-2-4-16(42)5-3-14)36(54)39(56)22(44)6-15(8-38(39,55)64-37)33(53)58-18-7-17(43)23(45)27(49)30(18)62-35-31(28(50)25(47)21(11-41)61-35)63-34-29(51)26(48)24(46)20(10-40)60-34/h2-5,13,15,17-31,34-36,40-51,54-56H,6-12H2,1H3/t13-,15+,17+,18-,19+,20-,21-,22+,23-,24-,25-,26+,27+,28+,29-,30+,31-,34?,35?,36+,37+,38-,39+/m1/s1

InChIKey

SLGVARDDVMSVRY-IFNPPAHKSA-N

Compound name

[(1R,2R,3S,4R,5S)-2-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4,5-trihydroxycyclohexyl] (2S,3R,3aS,4S,4'S,5'R,6S,7aR)-3,3a,4,7a-tetrahydroxy-4'-(4-hydroxybenzoyl)oxy-5'-methylspiro[4,5,6,7-tetrahydro-3H-1-benzofuran-2,2'-oxane]-6-carboxylate

Related CIDs

• CID 129905397