科华智慧（深圳）创新药物研发有限公司-天然产物化合物库-创新药物研发-波谱智能解析-化合物冷冻电镜结构解析

天然产物数据库

您可快速检索70万⁺天然产物信息

检索最多: 白僵菌素大品种冬虫夏草人参三七党参大戟决明半夏丁香

CAS No.	英文名/中文名/SMILES	分子式	分子量
218963-76-9	1-Benzopyrylium, 5-[[6-O-(2-carboxyacetyl)-beta-D-glucopyranosyl]oxy]-3-[[2-O-beta-D-glucopyranosyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-7-hydroxy-2-(4-hydroxyphenyl)- 天竺葵色素-3-O-[6-O-(E)-对香豆酰基-2-O-β-D-葡萄糖苷}-β-D-葡萄糖苷]-5-O-(6-O-丙二酰基）-β-D-葡萄糖苷 C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O)O)C6=CC=C(C=C6)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)O	C₄₅H₄₉O₂₅+	989.9
27686-34-6	Cepharanoline 头花千金藤醇灵碱 CN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)O)OCO3	C₃₆H₃₆N₂O₆	592.7
58050-17-2	beta-D-glucosyl crocetin 西红花苷E CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C=CC=C(C)C(=O)O	C₂₆H₃₄O₉	490.5
57710-64-2	Dicrocin 西红花苷IV CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)CO)O)O)O)C=CC=C(C)C(=O)OC2C(C(C(C(O2)CO)O)O)O	C₃₂H₄₄O₁₄	652.7
85013-02-1	[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate 西洋参皂苷R1 CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C	C₅₆H₉₄O₂₄	1151.3
17994-15-9	2,3,4,13-Tetrahydro-1H-benz(g)indole(2,3-a)quinolizin-6-ium nitrate 硝酸长生草碱 C1CCC2=C[N+]3=C(C=C2C1)C4=C(C=C3)C5=CC=CC=C5N4.[N+](=O)([O-])[O-]	C₁₉H₁₇N₃O₃	335.4
36451-14-6	Neotheaflavin 新茶黄素 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC4=C(C(=C(C=C4C5C(CC6=C(C=C(C=C6O5)O)O)O)O)O)C(=O)C(=C3)O)O	C₂₉H₂₄O₁₂	564.5
1150314-34-3	Neopuerarin A 新葛根甲素 C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(O4)C(CO)O)O)O)O)O	C₂₁H₂₀O₉	416.4
1150314-39-8	Neopuerarin B 新葛根乙素 C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(O4)C(CO)O)O)O)O)O	C₂₁H₂₀O₉	416.4
55481-87-3	8-(3-Ethoxy-2-hydroxy-3-methylbutyloxy)psoralen (+)-9-(3-Ethoxy-2-hydroxy-3-methylbutoxy)-7H-furo[3,2-g][1]benzopyran-7-one CCOC(C)(C)C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O	C₁₈H₂₀O₆	332.3