기본 정보
- CAS
915792-03-9- 표준 SMILES
CC(=O)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
NYFPVHPLEGGWHZ-DIUPZIBKSA-N- 분자식
- C61H98O27
- 평균 분자량
- 1,263.4 g/mol
개요
Acanthopanaxoside B has been reported in Eleutherococcus senticosus with data available.
이름 및 식별자
- 우선 이름
- Acanthopanaxoside B
- IUPAC
- [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
- 현지명
- 아칸토파낙소사이드B
- 영어명
- Acanthopanaxoside B
- 분자식
- C61H98O27
- 분자량
- 1263.43
이름 및 동의어
Acanthopanaxoside B915792-03-9RefChem:108698((2S,3R,4S,5S,6R)-6-(((2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxymethyl)-3,4,5-trihydroxyoxan-2-yl) (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-((2S,3R,4S,5S)-4,5-dihydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylateorb1684948CHEMBL3952990SCHEMBL30365419HY-N4135TN1119AKOS037515011DA-50114MS-32079
이름 더 보기
아칸토파낙소사이드B(-)-ACANTHOPANAXOSIDE BOlean-12-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-O-acetyl-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl ester, (3β)-
CS-0032168
물성
구조 계산 물성
- XLogP
- -0.7
- 극성 표면적
- 419 Ų
- 수소 결합 공여자 수
- 14
- 수소 결합 수용자 수
- 27
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 88
- 형식 전하
- 0
- 복잡도
- 2,490
물리화학적 성질
- 밀도
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.5 · 12.50±0.70(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
공급사35 곳
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
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成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
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