Representations & DB's id
|
| |
| ChEBI: |
None
|
| ChEMBL: |
CHEMBL500497
|
| PubChem: |
44566250
|
|
IUPAC:
|
(2S,3S,4S,5R,6R)-6-[[(3S,4R,6aR,6bS,8R,8aR,9R,10R,14bR)-8,9-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
|
Standard InChI:
|
InChI=1S/C57H90O26/c1-9-23(2)47(74)83-45-44(71)57(22-60)25(16-52(45,3)4)24-10-11-30-53(5)14-13-32(54(6,21-59)29(53)12-15-55(30,7)56(24,8)17-31(57)63)78-51-43(82-49-38(69)36(67)35(66)28(18-58)77-49)40(39(70)41(80-51)46(72)73)79-50-42(34(65)27(62)20-76-50)81-48-37(68)33(64)26(61)19-75-48/h9-10,25-45,48-51,58-71H,11-22H2,1-8H3,(H,72,73)/b23-9-/t25?,26-,27+,28-,29?,30?,31-,32+,33+,34+,35+,36+,37-,38-,39+,40+,41+,42-,43-,44+,45+,48+,49-,50+,51-,53+,54+,55-,56-,57+/m1/s1
|
|
Standard InChI Key:
|
NNXBQYNJZAKHRO-ASBVHYEOSA-N
|
|
SMILES:
|
OC[C@H]1O[C@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O[C@@H]2OC[C@@H]([C@@H]([C@H]2O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)O)O)O)C(=O)O)O[C@H]2CC[C@]3(C([C@]2(C)CO)CC[C@@]2(C3CC=C3[C@@]2(C)C[C@H]([C@@]2(C3CC(C)(C)[C@H]([C@@H]2O)OC(=O)/C(=CC)/C)CO)O)C)C)[C@@H]([C@H]([C@H]1O)O)O |
