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Substance Name: Esculentoside G
RN: 143381-60-6
InChIKey: DDDHUKSRQZZNCR-UHFFFAOYSA-N

Note

  • Isolated from Phytolacca esculenta, the roots of which are used in Chinese traditional medicine as an anti-tumor and anti-rheumatic remedy.

Molecular Formula

  • C48-H74-O21

Molecular Weight

  • 987.0916
 
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Names and Synonyms

Name of Substance

  • Esculentoside G

Systematic Name

  • Oleana-9(11),12-diene-28,29-dioic acid, 3-((4-O-beta-D-glucopyranosyl-beta-D-xylopyranosyl)oxy)-2,23-dihydroxy-, 28-beta-D-glucopyranosyl 29-methyl ester, (2beta,3beta,4alpha,20beta)-

Registry Numbers

CAS Registry Number

  • 143381-60-6

System Generated Number

  • 0143381606

Structure Descriptors

InChI

1S/C48H74O21/c1-43(41(61)63-6)11-13-48(42(62)69-40-36(60)33(57)30(54)25(18-50)66-40)14-12-46(4)21(22(48)15-43)7-8-28-44(2)16-23(52)37(45(3,20-51)27(44)9-10-47(28,46)5)68-38-34(58)31(55)26(19-64-38)67-39-35(59)32(56)29(53)24(17-49)65-39/h7-8,22-27,29-40,49-60H,9-20H2,1-6H3

InChIKey

DDDHUKSRQZZNCR-UHFFFAOYSA-N

Smiles

CC1(CCC2(CCC3(C(=CC=C4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(CO6)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C(=O)OC