Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3-methoxy-5-(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
Hammarbine · 4-(β-D-Glucopyranosyloxy)-3-methoxy-5-(3-methyl-2-butenyl)benzoic acid [(4R,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl ester
![[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3-methoxy-5-(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate 분자 구조식](/img/chemical/178782899.png)
식별자 및 물리적 특성
| CAS No. | 40766-49-2 |
|---|---|
| 분자식 | C27H39NO9 |
| 평균 분자량 | 521.6 g/mol |
| SMILES | COc1cc(C(=O)OC[C@@H]2CCN3CCC[C@H]23)cc(CC=C(C)C)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChIKey | WVWHVRUHZISBHD-KMOWHULJSA-N |
화학 및 물리적 성질
| XLogP | 2.5 |
|---|---|
| 극성 표면적 | 138 |
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 10 |
| 회전 가능 결합 수 | 10 |
| 무거운 원자 수 | 37 |
| 형식 전하 | 0 |
| 복잡도 | 790 |