(+)-sesaminol 2-O-β-D-gentiotrioside
Chemical Formula:
C38H48O22
Molecular Weight:
856.784 Daltons
Monoisotopic Mass:
856.263723227 Daltons
SMILES:
C1(OC9(C(O1)=CC=C(C2(OC[CH]3(C(OC[CH]23)C7(C(OC4(C(C(C(O)C(O4)COC5(C(C(C(O)C(O5)COC6(C(C(C(O)C(O6)CO)O)O))O)O))O)O))=CC8(=C(C=7)OCO8)))))C=9))
InChI:
1S/C38H48O22/c39-6-22-25(40)28(43)31(46)36(58-22)51-9-23-26(41)29(44)32(47)37(59-23)52-10-24-27(42)30(45)33(48)38(60-24)57-18-5-21-20(55-12-56-21)4-14(18)35-16-8-49-34(15(16)7-50-35)13-1-2-17-19(3-13)54-11-53-17/h1-5,15-16,22-48H,6-12H2/t15-,16-,22+,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33+,34+,35+,36+,37+,38+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-14841
PubChem (CID):
126961078
MetaNetX:
MNXM114567