Kudinoside A

クジノシドA

Decided structure
Molecular formula： C₄₇H₇₄O₁₈
Molecular formula furigana： C47-H74-O18
Molecular weight： 927.091

InChI： InChI=1S/C47H74O18/c1-20-28(51)30(53)32(55)37(60-20)64-35-34(63-38-33(56)31(54)29(52)23(18-48)61-38)22(50)19-59-39(35)62-26-10-11-42(4)24(41(26,2)3)9-12-43(5)25(42)17-21(49)27-36-46(8,58)45(7)14-16-47(36,40(57)65-45)15-13-44(27,43)6/h20-26,28-35,37-39,48-56,58H,9-19H2,1-8H3/t20-,21+,22-,23+,24-,25+,26-,28-,29+,30+,31-,32+,33+,34-,35+,37-,38-,39-,42-,43+,44+,45-,46-,47+/m0/s1

InChI key： MOVNHXBNDSZSGK-NSVVBMBCSA-N

SMILES： C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4C[C@@H](O)C4=C6[C@](C)(O)[C@]7(C)CC[C@@]6(CC[C@@]54C)C(=O)O7)C3(C)C)OC[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Systematic name (3)：

3β-[(3-O-β-D-グルコピラノシル-2-O-α-L-ラムノピラノシル-α-L-アラビノピラノシル)オキシ]-12β,19,20-トリヒドロキシウルサ-13(18)-エン-28-酸28,20-ラクトン
(1R,4S,5R,8R,10S,13R,14R,16R,19S,20S)-16,19-ジヒドロキシ-10-{[(2S,3R,4S,5S)-5-ヒドロキシ-4-{[(2S,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}-3-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-4,5,9,9,13,19,20-ヘプタメチル-21-オキサヘキサシクロ[18.2.2.0^1,18.0^4,17.0^5,14.0^8,13]テトラコサ-17-エン-22-オン
(1R,4S,5R,8R,10S,13R,14R,16R,19S,20S)-16,19-dihydroxy-10-{[(2S,3R,4S,5S)-5-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.0^1,18.0^4,17.0^5,14.0^8,13]tetracos-17-en-22-one

Other name (3)：

クジノシドA
Kudinoside A
3β-[(3-O-β-D-Glucopyranosyl-2-O-α-L-rhamnopyranosyl-α-L-arabinopyranosyl)oxy]-12β,19,20-trihydroxyurs-13(18)-en-28-oic acid 28,20-lactone

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