TIGONIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C56H92O27
Molecular Weight	1197.3135
Optical Activity	UNSPECIFIED
Defined Stereocenters	36 / 36
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]6(CC[C@@H](C)CO6)O2)O[C@@H]7O[C@H](CO)[C@H](O[C@]8([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]9([H])OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@]%10([H])O[C@H](CO)[C@H](O)[C@H](O[C@]%11([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@H]%10O)[C@H](O)[C@H]7O

InChI

InChIKey=QERHBVOJJKVACB-NAURGQNWSA-N

InChI=1S/C56H92O27/c1-21-7-12-56(73-19-21)22(2)34-29(83-56)14-27-25-6-5-23-13-24(8-10-54(23,3)26(25)9-11-55(27,34)4)74-50-43(70)40(67)45(33(18-60)78-50)79-53-48(47(38(65)32(17-59)77-53)81-49-41(68)35(62)28(61)20-72-49)82-52-44(71)46(37(64)31(16-58)76-52)80-51-42(69)39(66)36(63)30(15-57)75-51/h21-53,57-71H,5-20H2,1-4H3/t21-,22+,23+,24+,25-,26+,27+,28-,29+,30-,31-,32-,33-,34+,35+,36-,37+,38-,39+,40-,41-,42-,43-,44-,45+,46+,47+,48-,49+,50-,51+,52+,53+,54+,55+,56-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C56H92O27
Molecular Weight	1197.3135
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	35 / 36
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:53:23 GMT 2023` Edited by `admin` on `Sat Dec 16 08:53:23 GMT 2023`
Record UNII	ZDI4CQ2J8T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TIGONIN

Common Name

English

TIGONIN [MI]

Common Name

English

Code System Code Type Description

FDA UNII

ZDI4CQ2J8T