(2r,6s)-2-[(3s,8s,9s,10r,13s,14s,16s,17r)-3-[(2r,3r,4r,5r,6r)-3,4-dihydroxy-5-[(2s,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2s,3r,5r)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-16-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-6-methyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-3-one

Structural Information

Molecular Formula

C₅₆H₉₂O₂₉

SMILES

C[C@@H](CCC(=O)[C@@](C)([C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H](C([C@@H](CO7)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C)C)O)O)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O

InChI

InChI=1S/C56H92O29/c1-21(19-76-49-42(72)38(68)35(65)29(15-57)79-49)5-8-33(63)56(4,75)48-27(61)14-26-24-7-6-22-13-23(9-11-54(22,2)25(24)10-12-55(26,48)3)78-51-44(74)40(70)45(32(18-60)82-51)83-53-47(85-52-43(73)39(69)36(66)30(16-58)80-52)46(37(67)31(17-59)81-53)84-50-41(71)34(64)28(62)20-77-50/h6,21,23-32,34-53,57-62,64-75H,5,7-20H2,1-4H3/t21-,23-,24+,25-,26-,27-,28+,29+,30+,31+,32+,34?,35+,36+,37+,38-,39-,40+,41+,42+,43+,44+,45-,46-,47+,48-,49+,50-,51+,52-,53-,54-,55-,56-/m0/s1

InChIKey

FITNPBNVDPWCGL-KNLZECHTSA-N

Compound name

(2R,6S)-2-[(3S,8S,9S,10R,13S,14S,16S,17R)-3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-16-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-6-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-3-one

Related CIDs

• CID 129906849