Chem
J-GLOBAL ID：200907073399288530   Nikkaji number：J1.129.428F

Platycoside D

プラチコシド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： C69H112O36
Molecular formula furigana： C69-H112-O36
Molecular weight： 1517.619
InChI： InChI=1S/C69H112O36/c1-26-50(101-57-49(88)51(31(75)20-92-57)102-61-53(89)69(91,24-72)25-96-61)44(83)48(87)58(97-26)103-52-37(76)30(74)19-93-60(52)105-62(90)68-14-12-63(2,3)16-28(68)27-8-9-36-64(4)17-29(73)54(65(5,23-71)35(64)10-11-67(36,7)66(27,6)13-15-68)104-59-47(86)43(82)40(79)34(100-59)22-95-56-46(85)42(81)39(78)33(99-56)21-94-55-45(84)41(80)38(77)32(18-70)98-55/h8,26,28-61,70-89,91H,9-25H2,1-7H3/t26-,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-,64-,65-,66+,67+,68-,69+/m0/s1
InChI key： CDXOVKJLDHISKF-RBCLHXRRSA-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]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O
Systematic name  (3)：
  • 2β,23-ジヒドロキシ-3β-[6-O-(6-O-β-D-グルコピラノシル-β-D-グルコピラノシル)-β-D-グルコピラノシルオキシ]-5α-オレアナ-12-エン-28-酸2-O-[4-O-(3-O-D-アピオ-β-D-フラノシル-β-D-キシロピラノシル)-α-L-ラムノピラノシル]-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,4R)-3,4-ジヒドロキシ-4-(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 (4aS,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-11-ヒドロキシ-9-(ヒドロキシメチル)-2,2,6a,6b,9,12a-ヘキサメチル-10-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(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}メチル)オキサン-2-イル]オキシ}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,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl (4aS,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)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)：
  • 2β,23-Dihydroxy-3β-[6-O-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)-β-D-glucopyranosyloxy]-5α-oleana-12-ene-28-oic acid 2-O-[4-O-(3-O-D-apio-β-D-furanosyl-β-D-xylopyranosyl)-α-L-rhamnopyranosyl]-α-L-arabinopyranosyl ester
  • プラチコシドD
  • Platycoside D
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