Name: Kudinoside LZ6
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212525485
Cas No:1239453-06-5
常用名:Kudinoside LZ6
IUPAC:(1R,4S,5R,10S,13R,16S,19S,20S)-16,19-dihydroxy-10-{[(2S,3R,4S,5S)-5-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracos-17-en-22-one
IUPAC:(1R,4S,5R,10S,13R,16S,19S,20S)-16,19-dihydroxy-10-{[(2S,3R,4S,5S)-5-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracos-17-en-22-one
InChI key:MOVNHXBNDSZSGK-VBLZPFLISA-N

分子式:C47H74O18
分子量:927.091
氢键供体数 (HBD):10
氢键受体数 (HBA):17
LogP:0.018
SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4C[C@H](O)C4=C6[C@](C)(O)[C@]7(C)CC[C@@]6(CC[C@@]54C)C(=O)O7)C3(C)C)OC[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |c:23|
SMILES:C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4C[C@H](O)C4=C6[C@](C)(O)[C@]7(C)CC[C@@]6(CC[C@@]54C)C(=O)O7)C3(C)C)OC[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |c:23|

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