Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 178961833생성일: 2026년 11월 5일
(2S,3S,4R,5S,6R)-2-[[(2R,3S,5S,8S,9S,10R,12S,13R,14S,17R)-2,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5S)-3,4,5-trihydroxyoxan-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]-6-(hydroxymethyl)oxane-3,4,5-triol
https://huagongshe.com/ko/chemical/178961833
식별자 및 물리적 특성
| 분자식 | C47H80O18 |
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| 평균 분자량 | 933.1 g/mol |
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| 단동위원소 질량 | 932.53446572 g/mol |
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| SMILES | CC(C)=CCC[C@](C)(O[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@@]2(C)[C@@H]1[C@@H](O)C[C@H]1[C@@]3(C)C[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@H]3CC[C@@]12C |
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| InChIKey | GELOPBLVWSJPGZ-PVSLXOKLSA-N |
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화학 및 물리적 성질
| XLogP | 1 |
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| 극성 표면적 | 298 |
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| 수소 결합 공여자 수 | 12 |
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| 수소 결합 수용자 수 | 18 |
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| 회전 가능 결합 수 | 12 |
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| 무거운 원자 수 | 65 |
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| 형식 전하 | 0 |
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| 복잡도 | 1,670 |
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![(2S,3S,4R,5S,6R)-2-[[(2R,3S,5S,8S,9S,10R,12S,13R,14S,17R)-2,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5S)-3,4,5-trihydroxyoxan-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]-6-(hydroxymethyl)oxane-3,4,5-triol 분자 구조식](/img/chemical/178961833.png)