Kudinoside B

クジノシドB

Decided structure
Molecular formula： C₄₇H₇₄O₁₉
Molecular formula furigana： C47-H74-O19
Molecular weight： 943.090

InChI： InChI=1S/C47H74O19/c1-41(2)24-8-11-43(4)25(16-20(50)27-36-46(7,59)45(6)13-15-47(36,40(58)66-45)14-12-44(27,43)5)42(24,3)10-9-26(41)63-37-33(57)34(21(51)19-60-37)64-39-35(31(55)29(53)23(18-49)62-39)65-38-32(56)30(54)28(52)22(17-48)61-38/h20-26,28-35,37-39,48-57,59H,8-19H2,1-7H3/t20-,21+,22-,23-,24+,25-,26+,28-,29-,30+,31+,32-,33-,34+,35-,37+,38+,39+,42+,43-,44-,45+,46+,47-/m1/s1

InChI key： RXALPINRMDHCFJ-CXZNMDTBSA-N

SMILES： CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)C2=C3[C@](C)(O)[C@]4(C)CC[C@@]3(CC[C@@]12C)C(=O)O4)O[C@@H]1OC[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O

Systematic name (3)：

3β-[[3-O-(2-O-β-D-グルコピラノシル-β-D-グルコピラノシル)-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)-10-{[(2S,3R,4S,5S)-4-{[(2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(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}オキサン-2-イル]オキシ}-3,5-ジヒドロキシオキサン-2-イル]オキシ}-16,19-ジヒドロキシ-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)-10-{[(2S,3R,4S,5S)-4-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-16,19-dihydroxy-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B
Kudinoside B
3β-[[3-O-(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy]-12β,19,20-trihydroxyurs-13(18)-en-28-oic acid 28,20-lactone

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