Name: Rugulosin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320185
Cas No:23537-16-8
常用名:Rugulosin
别名:Radicalisin
IUPAC:(1R,2S,13R,14S,15R,16R,17S,28S)-8,12,14,23,27,28-hexahydroxy-6,21-dimethyloctacyclo[14.11.1.0^{2,11}.0^{2,15}.0^{4,9}.0^{13,17}.0^{17,26}.0^{19,24}]octacosa-4(9),5,7,11,19(24),20,22,26-octaene-3,10,18,25-tetrone
IUPAC:(1R,2S,13R,14S,15R,16R,17S,28S)-8,12,14,23,27,28-hexahydroxy-6,21-dimethyloctacyclo[14.11.1.0^{2,11}.0^{2,15}.0^{4,9}.0^{13,17}.0^{17,26}.0^{19,24}]octacosa-4(9),5,7,11,19(24),20,22,26-octaene-3,10,18,25-tetrone
InChI key:OYNIPTDPTUSUAY-PUTAFCBNSA-N

分子式:C30H22O10
分子量:542.496
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[C@@H](O)[C@]3([H])[C@@]4([H])[C@H](O)[C@]([H])(C(O)=C5C(=O)c6c(O)cc(C)cc6C(=O)[C@]145)[C@@]31C(=O)c3cc(C)cc(O)c3C(=O)C1=C2O |c:48,t:13,TLB:29:28:8:12.14.27,9:8:28.4:12.14.27,3:2:6.27:28.42.41,25:27:2:28.42.41,THB:29:28:6.27:2,8:6:2:28.42.41,10:28:6.27:2,1:27:28.4:8,2:4:8:12.14.27,41:28:8:12.14.27|
SMILES:[H][C@]12[C@@H](O)[C@]3([H])[C@@]4([H])[C@H](O)[C@]([H])(C(O)=C5C(=O)c6c(O)cc(C)cc6C(=O)[C@]145)[C@@]31C(=O)c3cc(C)cc(O)c3C(=O)C1=C2O |c:48,t:13,TLB:29:28:8:12.14.27,9:8:28.4:12.14.27,3:2:6.27:28.42.41,25:27:2:28.42.41,THB:29:28:6.27:2,8:6:2:28.42.41,10:28:6.27:2,1:27:28.4:8,2:4:8:12.14.27,41:28:8:12.14.27|

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