Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 178961871생성일: 2026년 11월 4일
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aS,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-4-hydroxy-2-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
https://huagongshe.com/ko/chemical/178961871
식별자 및 물리적 특성
| 분자식 | C54H88O22 |
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| 평균 분자량 | 1,089.3 g/mol |
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| 단동위원소 질량 | 1,088.57672446 g/mol |
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| SMILES | C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](O)[C@H](O[C@@H]3[C@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5C=CC5=C7CC(C)(C)CC[C@]7(CO)[C@@H](O)C[C@]56C)[C@]4(C)CO)O[C@@H]3C)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |
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| InChIKey | ZZOVPKZMJSOHOS-JMQPMNDJSA-N |
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화학 및 물리적 성질
| XLogP | -0.7 |
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| 극성 표면적 | 357 |
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| 수소 결합 공여자 수 | 14 |
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| 수소 결합 수용자 수 | 22 |
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| 회전 가능 결합 수 | 12 |
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| 무거운 원자 수 | 76 |
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| 형식 전하 | 0 |
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| 복잡도 | 2,110 |
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![(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aS,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-4-hydroxy-2-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol 분자 구조식](/img/chemical/178961871.png)