rubusoside
Chemical Formula:
C32H50O13
Molecular Weight:
642.739 Daltons
Monoisotopic Mass:
642.3251416923 Daltons
SMILES:
C=C1(CC46(CC1(OC2(OC(C(O)C(O)C(O)2)CO))CC[CH](C5(C)(CCCC(C(OC3(C(O)C(C(O)C(CO)O3)O))=O)(C)[CH](CC4)5))6))
InChI:
1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(41)44-26-24(39)22(37)20(35)16(12-33)42-26)19(31)6-10-32(15,14-31)45-27-25(40)23(38)21(36)17(13-34)43-27/h16-27,33-40H,1,4-14H2,2-3H3/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1
InChIKey:
Synonyms
- 1-o-[(5|A,9|A,10|A,13|A)-13-(|A-d-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-|A-d-glucopyranose
Databases
MetaCyc:
CPD-14505
ChEBI:
145021
MetaNetX:
MNXM97340