Name: Cyclocarposide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213888905
Cas No:
常用名:Cyclocarposide
IUPAC:(2S,3S,4S,5S,6R)-2-{[(1S,3R,6S,9S,11S,12S,14S,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-9-yl]oxy}-6-methyloxane-3,4,5-triol
IUPAC:(2S,3S,4S,5S,6R)-2-{[(1S,3R,6S,9S,11S,12S,14S,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-9-yl]oxy}-6-methyloxane-3,4,5-triol
InChI key:UPADPCUOTDTWHH-BULZEYNMSA-N

分子式:C41H68O13
分子量:768.982
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H]1O[C@H](O[C@H]2C[C@@H]3[C@@]4(C[C@@]44CC[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)C24)CC[C@]2(C)C([C@@H](O)C[C@@]32C)[C@@]2(C)CC[C@H](O2)C(C)(C)O)[C@@H](O)[C@@H](O)[C@@H]1O
SMILES:C[C@H]1O[C@H](O[C@H]2C[C@@H]3[C@@]4(C[C@@]44CC[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)C24)CC[C@]2(C)C([C@@H](O)C[C@@]32C)[C@@]2(C)CC[C@H](O2)C(C)(C)O)[C@@H](O)[C@@H](O)[C@@H]1O

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