Funkioside i

Structural Information

Molecular Formula

C₆₈H₁₁₂O₃₆

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](O[C@H]([C@@H]([C@@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O[C@@H]4[C@H]([C@@H]([C@H](CO4)O)O)O)O)O[C@@H]5[C@H]([C@@H]([C@H](O[C@H]5O[C@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O[C@H]7CC[C@@]8(C9CC[C@]1(C(C9CC=C8C7)CC2C1[C@@H]([C@](O2)(CCC(C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)C)C)CO)CO)O)O)CO)C)O)O)O

InChI

InChI=1S/C68H112O36/c1-23(21-90-59-49(84)44(79)41(76)34(17-69)95-59)9-14-68(89)24(2)38-33(104-68)16-31-29-8-7-27-15-28(10-12-66(27,5)30(29)11-13-67(31,38)6)94-63-52(87)47(82)55(36(19-71)97-63)100-65-58(45(80)42(77)35(18-70)96-65)103-64-53(88)57(102-60-48(83)40(75)32(73)22-91-60)56(37(20-72)98-64)101-62-51(86)46(81)54(26(4)93-62)99-61-50(85)43(78)39(74)25(3)92-61/h7,23-26,28-65,69-89H,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+/m0/s1

InChIKey

YDCROEKYGULVHJ-HIWAQXEHSA-N

Compound name

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

Related CIDs

• CID 3085185