Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 178961865생성일: 2026년 11월 4일
(3S,5S,8R,9S,10S,13S,14R,17S)-17-[(3R,5R)-3-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-yl]-3-[(2S,3R,4S,5S)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
https://huagongshe.com/ko/chemical/178961865
식별자 및 물리적 특성
| 분자식 | C46H72O17 |
|---|
| 평균 분자량 | 897.1 g/mol |
|---|
| 단동위원소 질량 | 896.47695084 g/mol |
|---|
| SMILES | CC(C)=C[C@H]1C[C@@](O)([C@H]2CC[C@]3(C)[C@H]2CC[C@@H]2[C@@]4(C=O)CC[C@H](O[C@@H]5OC[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@]23C)C(=O)O1 |
|---|
| InChIKey | YTXBZOXUBSFCCT-WEDWXVFOSA-N |
|---|
화학 및 물리적 성질
| XLogP | 1.9 |
|---|
| 극성 표면적 | 261 |
|---|
| 수소 결합 공여자 수 | 8 |
|---|
| 수소 결합 수용자 수 | 17 |
|---|
| 회전 가능 결합 수 | 9 |
|---|
| 무거운 원자 수 | 63 |
|---|
| 형식 전하 | 0 |
|---|
| 복잡도 | 1,720 |
|---|
![(3S,5S,8R,9S,10S,13S,14R,17S)-17-[(3R,5R)-3-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-yl]-3-[(2S,3R,4S,5S)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde 분자 구조식](/img/chemical/178961865.png)