Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 178976216생성일: 2026년 10월 30일
[(2S,3R,4R,5S,6S)-5-[(2S,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-(2-methylpropanoyloxy)-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-6-methyl-2-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (2R)-2-methylbutanoate
https://huagongshe.com/ko/chemical/178976216
식별자 및 물리적 특성
| 분자식 | C64H100O25 |
|---|
| 평균 분자량 | 1,269.5 g/mol |
|---|
| 단동위원소 질량 | 1,268.6553687 g/mol |
|---|
| SMILES | CCCCC[C@H]1CCCCCCCCCC(=O)O[C@H]2[C@H](O[C@H]3[C@H](O1)O[C@H](C)[C@H](O)[C@@H]3O)O[C@@H](C)[C@H](O[C@@H]1O[C@@H](C)[C@H](O[C@@H]3O[C@@H](C)[C@H](OC(=O)C(C)C)[C@@H](O)[C@H]3OC(=O)/C=C/c3ccccc3)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]1OC(=O)[C@H](C)CC)[C@H]2O |
|---|
| InChIKey | UQBJFZAVJBNKFD-ZUPZSNDVSA-N |
|---|
화학 및 물리적 성질
| XLogP | 6.8 |
|---|
| 극성 표면적 | 339 |
|---|
| 수소 결합 공여자 수 | 7 |
|---|
| 수소 결합 수용자 수 | 25 |
|---|
| 회전 가능 결합 수 | 21 |
|---|
| 무거운 원자 수 | 89 |
|---|
| 형식 전하 | 0 |
|---|
| 복잡도 | 2,200 |
|---|
![[(2S,3R,4R,5S,6S)-5-[(2S,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-(2-methylpropanoyloxy)-3-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-6-methyl-2-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (2R)-2-methylbutanoate 분자 구조식](/img/chemical/178976216.png)