Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 178961873생성일: 2026년 11월 4일
1-[(2'S,3S,4S,4'R,5R,10S,13S,14S,17S)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3S,4R,5R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-(hydroxymethyl)-4,4',10,13,14-pentamethylspiro[1,2,3,5,6,7,11,12,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-yl]propan-1-one
https://huagongshe.com/ko/chemical/178961873
식별자 및 물리적 특성
| 분자식 | C52H84O22 |
|---|
| 평균 분자량 | 1,061.2 g/mol |
|---|
| 단동위원소 질량 | 1,060.54542433 g/mol |
|---|
| SMILES | CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO[C@H]5OC[C@@H](O)[C@@H](O)[C@@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]3O)[C@](C)(CO)[C@@H]2CC4)O1 |
|---|
| InChIKey | HSEIJEWAYARWCQ-YMTHCDNISA-N |
|---|
화학 및 물리적 성질
| XLogP | -1.9 |
|---|
| 극성 표면적 | 343 |
|---|
| 수소 결합 공여자 수 | 12 |
|---|
| 수소 결합 수용자 수 | 22 |
|---|
| 회전 가능 결합 수 | 13 |
|---|
| 무거운 원자 수 | 74 |
|---|
| 형식 전하 | 0 |
|---|
| 복잡도 | 2,030 |
|---|
![1-[(2'S,3S,4S,4'R,5R,10S,13S,14S,17S)-3-[(2R,3R,4S,5S,6R)-6-[[(2R,3S,4R,5R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-(hydroxymethyl)-4,4',10,13,14-pentamethylspiro[1,2,3,5,6,7,11,12,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-yl]propan-1-one 분자 구조식](/img/chemical/178961873.png)