kaempferol 3-O-β-gentiobioside

kaempferol 3-<i>O</i>-β-gentiobioside




Chemical Formula:
C27H30O16
Molecular Weight:
610.524 Daltons
Monoisotopic Mass:
610.1533849166 Daltons
SMILES:
C1(C=C(O)C=CC=1C4(OC5(C=C(O)C=C(O)C(C(=O)C(OC3(OC(COC2(OC(CO)C(O)C(O)C(O)2))C(O)C(O)C(O)3))=4)=5)))
InChI:
1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-8-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-12(31)5-11(30)6-13(16)40-24(25)9-1-3-10(29)4-2-9/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1
InChIKey:
BITPRCODIALMOV-DEFKTLOSSA-N

Synonyms
  • kaempferol-3-gentiobioside

Databases
MetaCyc:  CPD-14847
ChEBI:  136785
PubChem (CID):  9960512
MetaNetX:  MNXM58734