Name: Stichloroside A2
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT212525966
Cas No:78244-72-1
常用名:Stichloroside A2
IUPAC:(2S)-1-[(2S,5S,6S,9S,13R,16S)-16-{[(2S,3R,4S,5R)-5-{[(2S,3R,4S,5R,6R)-4-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4R,5R)-5-{[(2S,3R,4S,5R,6R)-4-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-4-hydroxyoxan-2-yl]oxy}-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-1(20)-en-6-yl]-4-methylpent-4-en-2-yl acetate
IUPAC:(2S)-1-[(2S,5S,6S,9S,13R,16S)-16-{[(2S,3R,4S,5R)-5-{[(2S,3R,4S,5R,6R)-4-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4R,5R)-5-{[(2S,3R,4S,5R,6R)-4-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-4-hydroxyoxan-2-yl]oxy}-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-1(20)-en-6-yl]-4-methylpent-4-en-2-yl acetate
InChI key:HEPWNKMUMJUOQK-VUNZPJHSSA-N

分子式:C68H108O33
分子量:1453.579
氢键供体数 (HBD):15
氢键受体数 (HBA):31
LogP:-2.747
SMILES:[H][C@]12CC[C@@]3(C)C4=CCC5C(C)(C)[C@H](CC[C@]5(C)C4CC[C@]13C(=O)O[C@@]2(C)C[C@H](CC(C)=C)OC(C)=O)O[C@@H]1OC[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O |t:6|
SMILES:[H][C@]12CC[C@@]3(C)C4=CCC5C(C)(C)[C@H](CC[C@]5(C)C4CC[C@]13C(=O)O[C@@]2(C)C[C@H](CC(C)=C)OC(C)=O)O[C@@H]1OC[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O |t:6|

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