SMILES和InChIs
SMILES:
[C@]12(C(=CCC3[C@]1(CCC1[C@@]3(CC[C@@H](C1(C)C)OC1C(OC3C(C(C(C(O3)C)O)O)O)C(C(OC3C(C(C(C(O3)CO)O)O)O)CO1)O)C)C)C1[C@@](C(=O)OC3C(C(C(C(O3)COC3C(C(C(OC4C(C(C(C(O4)C)O)O)O)C(O3)CO)O)O)O)O)O)(CC2)CCC(C1)(C)C)C
Canonical SMILES:
OCC1OC(OCC2OC(OC(=O)[C@]34CC[C@@]5(C(=CCC6[C@@]5(C)CCC5[C@]6(C)CC[C@@H](C5(C)C)OC5OCC(C(C5OC5OC(C)C(C(C5O)O)O)O)OC5OC(CO)C(C(C5O)O)O)C4CC(CC3)(C)C)C)C(C(C2O)O)O)C(C(C1OC1OC(C)C(C(C1O)O)O)O)O
InChI:
InChI=1S/C65H106O30/c1-25-36(68)41(73)46(78)54(86-25)93-51-30(22-67)89-53(50(82)45(51)77)84-23-31-39(71)44(76)49(81)57(90-31)95-59(83)65-18-16-60(3,4)20-28(65)27-10-11-34-62(7)14-13-35(61(5,6)33(62)12-15-64(34,9)63(27,8)17-19-65)92-58-52(94-55-47(79)42(74)37(69)26(2)87-55)40(72)32(24-85-58)91-56-48(80)43(75)38(70)29(21-66)88-56/h10,25-26,28-58,66-82H,11-24H2,1-9H3/t25?,26?,28?,29?,30?,31?,32?,33?,34?,35-,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,62-,63+,64+,65-/m0/s1
InChIKey:
DXLORNSIGDEVQK-HWLKFJBFSA-N