Otophylloside glycoside
Molecular Formula:
C77H108O27
InChI: InChI=1/C49H72O18.C28H36O9/c1-25-41(52)33(57-7)21-39(60-25)65-43-27(3)62-40(23-35(43)59-9)66-42-26(2)61-38(22-34(42)58-8)63-32-15-16-45(5)30(20-32)14-17-47(54)36(45)24-37(64-44(53)29-10-12-31(51)13-11-29)46(6)48(47,55)18-19-49(46,56)67-28(4)50;1-16(29)37-28(35)13-12-27(34)25(28,3)22(36-23(32)17-4-6-19(30)7-5-17)15-21-24(2)10-9-20(31)14-18(24)8-11-26(21,27)33/h10-14,25-27,32-43,51-52,54-56H,15-24H2,1-9H3;4-8,20-22,30-31,33-35H,9-15H2,1-3H3/t25u,26u,27u,32-,33?,34?,35?,36+,37+,38?,39?,40?,41?,42?,43?,45-,46-,47-,48+,49+;20-,21+,22+,24-,25-,26-,27+,28+/m00/s1
InChIKey: InChIKey=BHFAUSUTEPROGH-AKKVEQGUBQ
SMILES: CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CCC5(C6CC(C7(C(C6(CC=C5C4)O)(CCC7(O)OC(=O)C)O)C)OC(=O)C8=CC=C(C=C8)O)C)C)C)OC)O.CC(=O)OC1(CCC2(C1(C(CC3C2(CC=C4C3(CCC(C4)O)C)O)OC(=O)C5=CC=C(C=C5)O)C)O)O
Names:
NSC379667
Otophylloside glycoside
[(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyloxy-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] 4-hydroxybenzoate; [(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyloxy-8,14,17-trihydroxy-3-[5-[5-(5-hydroxy-4-methoxy-6-methyl-oxan-2-yl)oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] 4-hydroxybenzoate
Registries:
PubChem CID 5458909
PubChem ID 8141599
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