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Details

Stereochemistry ABSOLUTE
Molecular Formula C42H66O14
Molecular Weight 794.965
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALENDULOSIDE G

SMILES

[H][C@@]7(O[C@H]1[C@H](O)[C@H](O[C@@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C5[C@]6([H])CC(C)(C)CC[C@@]6(CC[C@@]45C)C(O)=O)C2(C)C)[C@@H]1O)C(O)=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O

InChI

InChIKey=BQPYEFAVIPEQIK-AGCVEWRESA-N
InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22+,23-,24+,25-,26-,27-,28+,29-,30+,31-,32-,34-,35+,39-,40+,41+,42-/m0/s1

HIDE SMILES / InChI

Molecular Formula C42H66O14
Molecular Weight 794.965
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 18 / 18
E/Z Centers 0
Optical Activity UNSPECIFIED

Description
Curator's Comment: description was created based on several sources, including http://link.springer.com/article/10.1007%2FBF00563847?LI=true

Calenduloside G is the derivative of oleanolic acid present in a wide variety of Caltha plants. Calenduloside G shows toxicity in sheep erythrocytes in hemolytic assay.

Originator

Sources: DOI: 10.1016/0031-9422(67)85009-X

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Facile synthesis of triterpenoid saponins bearing β-Glu/Gal-(1→3)-β-GluA methyl ester and their cytotoxic activities.
2012 Apr 1

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
Calenduloside G shows toxicity in sheep erythrocytes in hemolytic assay with Half hemolytic degree (HD50) = 19 mkM
Substance Class Chemical
Created
by admin
on Fri Dec 15 21:50:31 UTC 2023
Edited
by admin
on Fri Dec 15 21:50:31 UTC 2023
Record UNII
86D3U3JCL7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALENDULOSIDE G
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.)-17-CARBOXY-28-NOROLEAN-12-EN-3-YL 3-O-.BETA.-D-GALACTOPYRANOSYL-
Common Name English
Code System Code Type Description
FDA UNII
86D3U3JCL7
Created by admin on Fri Dec 15 21:50:31 UTC 2023 , Edited by admin on Fri Dec 15 21:50:31 UTC 2023
PRIMARY
PUBCHEM
44566264
Created by admin on Fri Dec 15 21:50:31 UTC 2023 , Edited by admin on Fri Dec 15 21:50:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID50180669
Created by admin on Fri Dec 15 21:50:31 UTC 2023 , Edited by admin on Fri Dec 15 21:50:31 UTC 2023
PRIMARY
CAS
26020-15-5
Created by admin on Fri Dec 15 21:50:31 UTC 2023 , Edited by admin on Fri Dec 15 21:50:31 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
CALENDULA OFFICINALIS FLOWER terpenoid