(2R,3S,4R,5R,6S)-5-{[(2R,3S,4R,5R,6S)-3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2R,3S,4R,5S)-4-{[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-4-hydroxy-6-({[(2E,6S)-6-hydroxy-2,6-dimethyloct
AlkaPlorer ID: AK264814
Synonym: None
IUPAC Name: [(2R,3S,4R,5R,6S)-5-[(2R,3S,4R,5R,6S)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3S,4R,5S)-4-[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-[[(2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxymethyl]oxan-2-yl] (4aR,5S,6aS,6aR,6bS,8aS,10R,12aS,14bS)-10-[(2S,3S,4S,5R,6S)-3-acetamido-6-[[(2R,3S,4R,5S)-4,5-dihydroxy-3-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-hydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Structure
SMILES: C=C[C@@](C)(O)CC/C=C(\C)C(=O)OC[C@@H]1O[C@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@H]4[C@]5(C)CC[C@@H](O[C@H]6O[C@@H](CO[C@H]7OC[C@H](O)[C@@H](O)[C@@H]7O[C@H]7OC[C@H](O)[C@@H](O)[C@@H]7O)[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H]6N=C(C)O)C(C)(C)[C@H]5CC[C@]4(C)[C@@]2(C)C[C@@H]3O)[C@@H](O[C@H]2OC[C@H](O)[C@@H](O[C@H]3OC[C@@](O)(CO)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1OC(C)=O
InChI: InChI=1S/C88H139NO43/c1-13-83(9,113)20-14-15-36(2)71(111)115-32-46-66(129-77-68(121-38(4)94)59(105)56(102)45(28-91)123-77)62(108)69(131-74-63(109)64(43(97)31-117-74)127-79-70(110)87(114,34-92)35-120-79)78(125-46)132-80(112)88-24-23-81(5,6)25-40(88)39-16-17-49-84(10)21-19-51(82(7,8)48(84)18-22-85(49,11)86(39,12)26-50(88)98)126-72-52(89-37(3)93)57(103)65(128-75-61(107)58(104)55(101)44(27-90)122-75)47(124-72)33-119-76-67(54(100)42(96)30-118-76)130-73-60(106)53(99)41(95)29-116-73/h13,15-16,40-70,72-79,90-92,95-110,113-114H,1,14,17-35H2,2-12H3,(H,89,93)/b36-15+/t40-,41-,42-,43-,44-,45-,46-,47-,48+,49-,50-,51+,52-,53+,54+,55-,56-,57-,58+,59+,60-,61-,62+,63-,64+,65-,66-,67-,68-,69-,70+,72+,73+,74+,75+,76+,77+,78+,79+,83+,84+,85-,86-,87-,88+/m0/s1
InChIKey: NIOYYWCFXFCIIN-OIOSCFBCSA-N
Source
Properties Information
Molecule Weight: 1899.0440000000008
TPSA？: 674.7700000000004
MolLogP？: -5.440400000000035
Number of H-Donors: 22
Number of H-Acceptors: 43
RingCount: 13
Activities Information
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