Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 178961808생성일: 2026년 11월 4일
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-7-hydroxy-4,4,8,10,14-pentamethyl-17-[(E,2S,3S)-2,3,6-trihydroxy-6-methylhept-4-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
https://huagongshe.com/ko/chemical/178961808
식별자 및 물리적 특성
| 분자식 | C42H72O14 |
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| 평균 분자량 | 801 g/mol |
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| 단동위원소 질량 | 800.49220698 g/mol |
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| SMILES | C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC[C@@H]6[C@@H]([C@](C)(O)[C@@H](O)/C=C/C(C)(C)O)CC[C@@]6(C)[C@]5(C)[C@@H](O)C[C@H]4C3(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
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| InChIKey | GOJQRQRGOPNVNG-BNBANAAESA-N |
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화학 및 물리적 성질
| XLogP | 1.8 |
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| 극성 표면적 | 239 |
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| 수소 결합 공여자 수 | 10 |
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| 수소 결합 수용자 수 | 14 |
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| 회전 가능 결합 수 | 9 |
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| 무거운 원자 수 | 56 |
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| 형식 전하 | 0 |
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| 복잡도 | 1,430 |
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![(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-7-hydroxy-4,4,8,10,14-pentamethyl-17-[(E,2S,3S)-2,3,6-trihydroxy-6-methylhept-4-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol 분자 구조식](/img/chemical/178961808.png)