(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: AK050890
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] (3S,4R,4aR,6aR,6aS,6bR,8aR,10R,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-3,4-dihydroxy-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@]23CC[C@]4(C)C(=CC[C@@H]5[C@@]6(C)CC[C@@H](O[C@@H]7O[C@H](CO[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7N=C(C)O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2CC(C)(C)[C@H](O)[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/C88H139NO44/c1-13-83(9,114)20-14-15-35(2)71(112)116-31-45-64(130-77-66(122-37(4)94)57(104)54(101)44(27-91)124-77)60(107)67(132-74-61(108)62(42(97)30-118-74)128-79-70(111)87(115,33-92)34-121-79)78(126-45)133-80(113)88-24-23-85(11)38(39(88)25-81(5,6)68(109)69(88)110)16-17-48-84(10)21-19-49(82(7,8)47(84)18-22-86(48,85)12)127-72-50(89-36(3)93)55(102)63(129-75-59(106)56(103)53(100)43(26-90)123-75)46(125-72)32-120-76-65(52(99)41(96)29-119-76)131-73-58(105)51(98)40(95)28-117-73/h13,15-16,39-70,72-79,90-92,95-111,114-115H,1,14,17-34H2,2-12H3,(H,89,93)/b35-15+/t39-,40-,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-/m1/s1
InChIKey: DYEVAYRMFGZHTK-SRTMIBNXSA-N
Source
Properties Information
Molecule Weight: 1915.0430000000013
TPSA？: 695.0000000000005
MolLogP？: -6.46960000000004
Number of H-Donors: 23
Number of H-Acceptors: 44
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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