(2S,3R,4S,5S,6R)-5-{[(2S,3R,4S,5S,6R)-3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4S,5R)-4-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-4-hydroxy-6-({[(2E,6R)-6-hydroxy-2,6-dimethyloct
AlkaPlorer ID: AK083967
Synonym: None
IUPAC Name: [(2S,3R,4S,5S,6R)-5-[(2S,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-[[(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxymethyl]oxan-2-yl] (4aR,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-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]6NC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)[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/C88H139NO42/c1-13-83(9,112)20-14-15-37(2)71(110)114-33-47-66(128-77-68(120-39(4)94)59(104)56(101)46(29-91)122-77)62(107)69(130-74-63(108)64(44(97)32-116-74)126-79-70(109)88(113,35-92)36-119-79)78(124-47)131-80(111)87-25-23-81(5,6)27-41(87)40-16-17-50-84(10)21-19-51(82(7,8)49(84)18-22-86(50,12)85(40,11)24-26-87)125-72-52(89-38(3)93)57(102)65(127-75-61(106)58(103)55(100)45(28-90)121-75)48(123-72)34-118-76-67(54(99)43(96)31-117-76)129-73-60(105)53(98)42(95)30-115-73/h13,15-16,41-70,72-79,90-92,95-109,112-113H,1,14,17-36H2,2-12H3,(H,89,93)/b37-15+/t41-,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-/m1/s1
InChIKey: PRYBENUZOCAPGE-WPAIHXNQSA-N
Source
Properties Information
Molecule Weight: 1883.0450000000008
TPSA？: 651.0500000000003
MolLogP？: -5.251500000000036
Number of H-Donors: 21
Number of H-Acceptors: 42
RingCount: 13
Activities Information
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