dianversicoside A (Q27134238)

DIANVERSICOSIDE A (English)

7 October 2016

chemical formula

C₆₀H₉₄O₃₀

1 reference

DIANVERSICOSIDE A (English)

7 October 2016

canonical SMILES

CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)O)C)C(=O)OC7C(C(C(C(O7)COC8C(C(C(C(O8)COC(=O)CC(C)(CC(=O)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)C

1 reference

DIANVERSICOSIDE A (English)

7 October 2016

isomeric SMILES

C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)C[C@](C)(CC(=O)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O)C)C)(C)C(=O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O

1 reference

DIANVERSICOSIDE A (English)

7 October 2016

3 references

Dianthus chinensis

1 reference

InChI=1S/C60H94O30/c1-54(2)14-15-60(25(16-54)24-8-9-30-56(4)12-11-32(63)59(7,31(56)10-13-57(30,5)58(24,6)17-33(60)64)52(79)89-49-45(77)41(73)37(69)27(21-62)85-49)53(80)90-50-46(78)42(74)38(70)29(86-50)23-83-51-47(88-48-44(76)40(72)36(68)26(20-61)84-48)43(75)39(71)28(87-51)22-82-35(67)19-55(3,81)18-34(65)66/h8,25-33,36-51,61-64,68-78,81H,9-23H2,1-7H3,(H,65,66)/t25-,26+,27+,28+,29+,30+,31+,32-,33+,36+,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48-,49-,50-,51+,55-,56+,57+,58+,59-,60+/m0/s1

Identifiers

InChI

0 references

InChIKey

IJSZPFMPQUDYPI-FYIVALIFSA-N

2 references

DIANVERSICOSIDE A (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

(3S)-5-{[(2R,3S,4S,5R,6R)-6-{[(2R,3S,4S,5R,6S)-6-({[(4aR,5R,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-5,10-Dihydroxy-2,2,6a,6b,9,12a-hexamethyl-9-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahy (English)

7 October 2016

1 reference