Name: Hybridaphniphylline B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315878
Cas No:1467083-09-5
常用名:Hybridaphniphylline B
IUPAC:(1R,4S,5R,8S,11S,12S,14R,15R,19S,23S,24R,26R,27S,31S)-10-(hydroxymethyl)-23,27-dimethyl-12-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13-dioxa-21-azadecacyclo[14.11.1.1^{1,24}.1^{4,15}.1^{5,8}.0^{4,28}.0^{5,14}.0^{19,27}.0^{21,26}.0^{11,31}]hentriaconta-9,16(28)-diene-6,29-dione
IUPAC:(1R,4S,5R,8S,11S,12S,14R,15R,19S,23S,24R,26R,27S,31S)-10-(hydroxymethyl)-23,27-dimethyl-12-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,13-dioxa-21-azadecacyclo[14.11.1.1^{1,24}.1^{4,15}.1^{5,8}.0^{4,28}.0^{5,14}.0^{19,27}.0^{21,26}.0^{11,31}]hentriaconta-9,16(28)-diene-6,29-dione
InChI key:KCMKLEMDTFKPIE-NQQVWIIASA-N

分子式:C37H47NO11
分子量:681.779
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CN3C[C@@H](C)[C@H]4C[C@]3([H])[C@]1(C)[C@]1(CC[C@]35C[C@H](C(CC2)=C13)[C@@]1([H])O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]2([H])C(CO)=C[C@]3([H])OC(=O)[C@]51[C@]23[H])C4=O |c:49,t:24,@@:3,TLB:1:11:3.4.5:8,THB:48:50:22.19:17,22:13:3.4.5:8,14:13:3.4.5:8,12:11:3.4.5:8,25:23:22.19:17,51:50:22.19:17|
SMILES:[H][C@@]12CN3C[C@@H](C)[C@H]4C[C@]3([H])[C@]1(C)[C@]1(CC[C@]35C[C@H](C(CC2)=C13)[C@@]1([H])O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]2([H])C(CO)=C[C@]3([H])OC(=O)[C@]51[C@]23[H])C4=O |c:49,t:24,@@:3,TLB:1:11:3.4.5:8,THB:48:50:22.19:17,22:13:3.4.5:8,14:13:3.4.5:8,12:11:3.4.5:8,25:23:22.19:17,51:50:22.19:17|

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