Description
Derived from the root of Cynanchum otophyllum Schneid, Qingyangshengenin 3-O-α-L-cymaropyranosyl-(1→4)-β-D-oleandropyranosyl- (1→4)-β-D-cymaropyranosyl-(1→4)-β-D-cymaropyranoside stands as an intriguing natural compound with potential anti-tumor activity. This promising molecule is traditionally used in Chinese medicine and may be particularly effective in the treatment of hepatocellular carcinoma, a lethal form of cancer that is notoriously resistant to conventional therapies. Its active constituents exhibit a remarkably complex structure that is worthy of further study, as the implications for cancer treatment may be significant.
Synonyms
AKOS040762539; 1808159-02-5; Qingyangshengenin 3-O-??-L-cymaropyranosyl-(1??4)-??-D-oleandropyranosyl-(1??4)-??-D-cymaropyranosyl-(1??4)-??-D-cymaropyranoside
IUPAC Name
[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] 4-hydroxybenzoate
Molecular Formula
C56H84O20
Canonical SMILES
CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(=O)C)O)C)OC(=O)C9=CC=C(C=C9)O)C)C)C)C)OC)O
InChI
InChI=1S/C56H84O20/c1-28-47(59)37(64-8)23-44(68-28)74-49-30(3)70-46(25-39(49)66-10)76-50-31(4)71-45(26-40(50)67-11)75-48-29(2)69-43(24-38(48)65-9)72-36-17-18-52(6)34(22-36)16-19-55(62)41(52)27-42(73-51(60)33-12-14-35(58)15-13-33)53(7)54(61,32(5)57)20-21-56(53,55)63/h12-16,28-31,36-50,58-59,61-63H,17-27H2,1-11H3/t28-,29+,30+,31+,36-,37+,38-,39+,40-,41+,42+,43-,44-,45-,46-,47-,48+,49+,50+,52-,53+,54+,55-,56+/m0/s1
InChIKey
HXWUVAUZONGLJI-QGQMRWPDSA-N