(Q27138480)

Agminoside C (English)

retrieved

7 October 2016

isomeric SMILES

CCC[C@H](CCCCCCCCCCCCCCCCOC[C@H](C(=O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)O)O)O)OC(=O)C)OC(=O)C)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

1 reference

InChI=1S/C83H130O47/c1-14-29-51(30-27-25-23-21-19-17-15-16-18-20-22-24-26-28-31-106-33-52(97)77(104)105)119-79-70(129-82-74(117-49(12)95)71(114-46(9)92)66(112-44(7)90)56(123-82)36-109-41(4)87)64(103)65(53(32-84)120-79)126-81-75(118-50(13)96)73(116-48(11)94)68(58(125-81)38-111-43(6)89)127-83-76(72(115-47(10)93)67(113-45(8)91)57(124-83)37-110-42(5)88)130-80-69(62(101)60(99)55(122-80)35-108-40(3)86)128-78-63(102)61(100)59(98)54(121-78)34-107-39(2)85/h51-76,78-84,97-103H,14-38H2,1-13H3,(H,104,105)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62+,63-,64+,65-,66-,67-,68-,69-,70-,71+,72+,73+,74-,75-,76-,78+,79-,80+,81+,82+,83+/m1/s1

Agminoside C (English)

retrieved

7 October 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

GEUWMFGUPMBBEC-OXJRRYGVSA-N

2 references

Agminoside C (English)

retrieved

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R)-3-{[(17R)-17-{[6-O-Acetyl-beta-D-glucopyranosyl-(1->2)-6-O-acetyl-beta-D-glucopyranosyl-(1->2)-3,4,6-tri-O-acetyl-beta-D-glucopyranosyl-(1->4)-2,3,6-tri-O-acetyl-beta-D-glucopyranosyl-(1->4)-[2,3 (English)

7 October 2016

1 reference