기본 정보
- CAS
1194056-35-3- 표준 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](OCCc4ccc(O)cc4)O[C@H](COC(=O)/C=C/c4ccc(O)c(O)c4)[C@H]3O)O[C@H]2C)[C@H](O)[C@H](O)[C@H]1O- InChIKey
ZFHXYODOBLFJFA-OJTSUPNQSA-N- 분자식
- C35H46O18
- 평균 분자량
- 754.7 g/mol
- 단동위원소 질량
- 754.26841461
이름 및 식별자
- 우선 이름
- CID 125181913
- IUPAC
- [(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- 영어명
- Ligupurpuroside D
- 분자식
- C35H46O18
- 분자량
- 754.73
이름 및 동의어
1194056-35-3Ligupurpuroside D?orb2564108HY-N2090TN7718CS-0018595((2R,3R,4S,5R,6R)-4-(((2S,3R,4S,5R,6S)-3,4-Dihydroxy-6-methyl-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,5-dihydroxy-6-(4-hydroxyphenethoxy)tetrahydro-2H-pyran-2-yl)methyl (E)-3-(3,4-dihydroxyphenyl)acrylate[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateLigupurpuroside Dβ-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→3)-, 6-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]2-(4-Hydroxyphenyl)ethyl O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-beta-D-glucopyranoside 6-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
데이터베이스 식별자
- CAS
1194056-35-3
물성
구조 계산 물성
- XLogP
- -1.2
- 극성 표면적
- 284 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,170
물리화학적 성질
- 끓는 점
- 1024.5 · 1024.5±65.0 °C(Predicted)
- 밀도
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.32 · 9.32±0.10(Predicted)
화학 및 산업
공급사23 곳
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
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郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海澄绍生物科技有限公司021-61847300 13341622919 · [email protected]
上海依赫生物科技有限公司021-68882955 17721395025 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
上海哲研生物科技有限公司18017610038 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
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