Alliumoside e

Structural Information

Molecular Formula

C₆₉H₁₁₄O₃₇

SMILES

C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@H]4CC[C@@]5(C6CC[C@]7(C(C6CC=C5C4)CC8C7[C@@H]([C@](O8)(CC[C@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)C)C)C)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O

InChI

InChI=1S/C69H114O37/c1-23(21-92-61-50(85)44(79)39(74)33(17-70)97-61)9-14-69(91)24(2)38-32(106-69)16-31-29-8-7-27-15-28(10-12-67(27,5)30(29)11-13-68(31,38)6)96-66-59(58(43(78)36(20-73)100-66)104-64-52(87)46(81)41(76)35(19-72)99-64)105-65-53(88)47(82)42(77)37(101-65)22-93-60-54(89)48(83)56(25(3)94-60)102-62-55(90)49(84)57(26(4)95-62)103-63-51(86)45(80)40(75)34(18-71)98-63/h7,23-26,28-66,70-91H,8-22H2,1-6H3/t23-,24-,25+,26+,28-,29?,30?,31?,32?,33+,34+,35+,36+,37+,38?,39+,40+,41+,42+,43+,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54-,55-,56+,57+,58-,59+,60+,61+,62-,63-,64-,65-,66+,67-,68-,69+/m0/s1

InChIKey

ZWNYQZLYFIWZCE-XDQXKVLTSA-N

Compound name

(2R,3R,4S,5S,6R)-2-[(2S)-4-[(6R,7S,9S,13R,16S)-16-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3S,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Related CIDs

• CID 3085113