Chem
J-GLOBAL ID：200907025117323318   Nikkaji number：J936.355F

Deapioplatycodin D

デアピオプラチコジンD
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C57H92O28
Molecular formula furigana： C57-H92-O28
Molecular weight： 1225.335
InChI： InChI=1S/C57H92O28/c1-22-42(81-46-41(74)43(27(64)19-76-46)82-48-38(71)35(68)29(17-59)79-48)37(70)40(73)47(78-22)83-44-33(66)26(63)18-77-50(44)85-51(75)57-12-11-52(2,3)13-24(57)23-7-8-30-53(4)14-25(62)45(84-49-39(72)36(69)34(67)28(16-58)80-49)56(20-60,21-61)31(53)9-10-54(30,5)55(23,6)15-32(57)65/h7,22,24-50,58-74H,8-21H2,1-6H3/t22-,24-,25-,26-,27+,28+,29+,30+,31+,32+,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44+,45-,46-,47-,48-,49-,50-,53+,54+,55+,57+/m0/s1
InChI key： NGHVDYOUXQBOLO-AXDGAHIKSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(CO)(CO)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H]1O
Systematic name  (3)：
  • 3β-(β-D-グルコピラノシルオキシ)-2β,16α,23,24-テトラヒドロキシ-オレアナ-12-エン-28-酸2-O-[4-O-[3-O-(β-D-リボフラノシル)-β-D-キシロピラノシル]-6-デオキシ-α-L-マンノピラノシル]-α-L-アラビノピラノシル
  • (2S,3R,4S,5S)-3-{[(2S,3R,4S,5R,6S)-5-{[(2S,3R,4S,5R)-4-{[(2S,3R,4S,5R)-3,4-ジヒドロキシ-5-(ヒドロキシメチル)オキソラン-2-イル]オキシ}-3,5-ジヒドロキシオキサン-2-イル]オキシ}-3,4-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-4,5-ジヒドロキシオキサン-2-イル (4aR,5R,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-5,11-ジヒドロキシ-9,9-ビス(ヒドロキシメチル)-2,2,6a,6b,12a-ペンタメチル-10-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-4a-カルボキシラート
  • (2S,3R,4S,5S)-3-{[(2S,3R,4S,5R,6S)-5-{[(2S,3R,4S,5R)-4-{[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl (4aR,5R,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
Other name (3)：
  • デアピオプラチコジンD
  • Deapioplatycodin D
  • 3β-(β-D-Glucopyranosyloxy)-2β,16α,23,24-tetrahydroxy-olean-12-en-28-oic acid 2-O-[4-O-[3-O-(β-D-ribofuranosyl)-β-D-xylopyranosyl]-6-deoxy-α-L-mannopyranosyl]-α-L-arabinopyranosyl ester
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