DREGEOSIDE AP1

Molecular Formula: C56H90O20


InChI: InChI=1/C56H90O20/c1-26(2)21-40(59)73-52-50(71-32(8)58)44-36(56(62)20-18-35(27(3)57)55(52,56)10)16-15-33-22-34(17-19-54(33,44)9)72-41-23-37(63-11)47(29(5)67-41)74-42-24-38(64-12)48(30(6)68-42)75-43-25-39(65-13)49(31(7)69-43)76-53-46(61)51(66-14)45(60)28(4)70-53/h15,26,28-31,34-39,41-53,60-62H,16-25H2,1-14H3/t28u,29u,30u,31u,34-,35+,36u,37?,38?,39?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50-,51?,52+,53?,54-,55-,56-/m0/s1

InChIKey: InChIKey=DNBGHHQKCVFJFT-BQQDNDFLBE
SMILES: CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7C(CC=C6C5)C8(CCC(C8(C(C7OC(=O)C)OC(=O)CC(C)C)C)C(=O)C)O)C)C)C)C)O)OC)O

Names:
    DREGEOSIDE AP1
    NSC375874
    [(3S,8R,10R,11S,12R,13S,14S,17S)-17-acetyl-11-acetyloxy-3-[5-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl)oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 3-methylbutanoate

Registries:
    PubChem CID 5458900
    PubChem ID 8141572