Name: Hybridaphniphylline A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315949
Cas No:1467083-07-3
常用名:Hybridaphniphylline A
IUPAC:(1R,2R,5S,8S,9S,11R,12S,16R,17S,18R,20R,21S,25S,31S)-7-(hydroxymethyl)-17,21-dimethyl-9-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,10-dioxa-23-azadecacyclo[14.11.1.1^{1,12}.1^{2,5}.1^{16,20}.0^{2,11}.0^{13,28}.0^{17,25}.0^{18,23}.0^{8,31}]hentriaconta-6,13(28)-diene-3,29-dione
IUPAC:(1R,2R,5S,8S,9S,11R,12S,16R,17S,18R,20R,21S,25S,31S)-7-(hydroxymethyl)-17,21-dimethyl-9-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,10-dioxa-23-azadecacyclo[14.11.1.1^{1,12}.1^{2,5}.1^{16,20}.0^{2,11}.0^{13,28}.0^{17,25}.0^{18,23}.0^{8,31}]hentriaconta-6,13(28)-diene-3,29-dione
InChI key:NUZJHFQGXVKNBJ-VVVKYYHASA-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(CCC3=C1[C@]1(C[C@@H]3[C@@]3([H])O[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@]5([H])C(CO)=C[C@]6([H])OC(=O)[C@]13[C@]56[H])CC2)C4=O |c:18,46,@@:3,TLB:17:13:8:3.5.4,12:11:8:3.5.4,1:11:8:3.5.4,6:5:8:13.11.53,THB:2:3:8:13.11.53,14:13:8:3.5.4|
SMILES:[H][C@@]12CN3C[C@@H](C)[C@H]4C[C@]3([H])[C@]1(C)[C@]1(CCC3=C1[C@]1(C[C@@H]3[C@@]3([H])O[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@]5([H])C(CO)=C[C@]6([H])OC(=O)[C@]13[C@]56[H])CC2)C4=O |c:18,46,@@:3,TLB:17:13:8:3.5.4,12:11:8:3.5.4,1:11:8:3.5.4,6:5:8:13.11.53,THB:2:3:8:13.11.53,14:13:8:3.5.4|

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