MACRANTHOIDIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C59H96O27
Molecular Weight	1237.3773
Optical Activity	UNSPECIFIED
Defined Stereocenters	33 / 33
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C6[C@@H]7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(=O)O[C@@H]8O[C@H](CO[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]8O)[C@]3(C)CO)[C@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H]1O

InChI

InChIKey=VUEGHZSQVJADCO-UGZFTLGKSA-N

InChI=1S/C59H96O27/c1-24-34(64)46(84-49-43(73)40(70)37(67)29(20-61)81-49)45(75)51(79-24)85-47-35(65)27(63)21-77-52(47)83-33-11-12-55(4)31(56(33,5)23-62)10-13-58(7)32(55)9-8-25-26-18-54(2,3)14-16-59(26,17-15-57(25,58)6)53(76)86-50-44(74)41(71)38(68)30(82-50)22-78-48-42(72)39(69)36(66)28(19-60)80-48/h8,24,26-52,60-75H,9-23H2,1-7H3/t24-,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-,55-,56-,57+,58+,59-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C59H96O27
Molecular Weight	1237.3773
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	33 / 33
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:15:22 GMT 2025` Edited by `admin` on `Mon Mar 31 23:15:22 GMT 2025`
Record UNII	92L57773OD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MACRANTHOIDIN A

Common Name

English

GIGANTEASIDE J

Preferred Name

English

OLEAN-12-EN-28-OIC ACID, 3-((O-.BETA.-D-GLUCOPYRANOSYL-(1->3)-O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-.ALPHA.-L-ARABINOPYRANOSYL)OXY)-23-HYDROXY-, 6-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL ESTER, (3.BETA.,4.ALPHA.)-

Systematic Name

English

3-O-.BETA.-D-GLUCOPYRANOSYL-(1->3)-.ALPHA.-L-RHAMNOPYRANOSYL-(1->2)-.ALPHA.-L-ARABINOPYRANOSYLHEDERAGENIN 28-.BETA.-D-GLUCOPYRANOSYL-(1->6)-.BETA.-D-GLUCOPYRANOSYL ESTER

Systematic Name

English

GIGANTEOSIDE J

Common Name

English

Code System Code Type Description

CAS

140360-29-8

Created by admin on Mon Mar 31 23:15:22 GMT 2025 , Edited by admin on Mon Mar 31 23:15:22 GMT 2025

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EPA CompTox

DTXSID301098647

Created by admin on Mon Mar 31 23:15:22 GMT 2025 , Edited by admin on Mon Mar 31 23:15:22 GMT 2025

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PUBCHEM

14564503

Created by admin on Mon Mar 31 23:15:22 GMT 2025 , Edited by admin on Mon Mar 31 23:15:22 GMT 2025

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FDA UNII

92L57773OD

Created by admin on Mon Mar 31 23:15:22 GMT 2025 , Edited by admin on Mon Mar 31 23:15:22 GMT 2025

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