Saikosaponin H
기본 정보
- CAS
91990-63-5- 표준 SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@]4(C)[C@H]5C=CC6=C7CC(C)(C)CC[C@]7(CO)[C@@H](O)C[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
PYJMYPPFWASOJX-XMRFJGCSSA-N- 분자식
- C48H78O17
- 평균 분자량
- 927.1 g/mol
개요
Saikosaponin H has been reported in Bupleurum falcatum with data available.
이름 및 식별자
- 우선 이름
- Saikosaponin H
- IUPAC
- (2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8S,8aS,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
- 영어명
- [16β,28-Dihydroxy-11,12,13,18-tetradehydrooleanan-3β-yl]4-O-(6-deoxy-α-L-mannopyranosyl)-6-O-(β-D-glucopyranosyl)-β-D-glucopyranoside
- 분자식
- C48H78O17
- 분자량
- 927.12
이름 및 동의어
Saikosaponin H(2S,3R,4R,5R,6S)-2-((2R,3S,4R,5R,6R)-6-(((3S,4aR,6aR,6bS,8S,8aS,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl)oxy)-4,5-dihydroxy-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-3-yl)oxy-6-methyloxane-3,4,5-triol(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8S,8aS,14aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triolRefChem:109829691990-63-5(3beta,16beta)-16,28-Dihydroxyoleana-11,13(18)-dien-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->4)-O-[beta-D-glucopyranosyl-(1-->6)]-beta-D-glucopyranosideorb1684248SCHEMBL8148030TN2171AKOS037515250FS-7157[16β,28-Dihydroxy-11,12,13,18-tetradehydrooleanan-3β-yl]4-O-(6-deoxy-α-L-mannopyranosyl)-6-O-(β-D-glucopyranosyl)-β-D-glucopyranoside
이름 더 보기
β-D-Glucopyranoside, (3β,16β)-16,28-dihydroxyoleana-11,13(18)-dien-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→6)]-(3beta,16beta)-16,28-Dihydroxyoleana-11,13(18)-dien-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-[beta-D-glucopyranosyl-(1-6)]-beta-D-glucopyranoside
데이터베이스 식별자
- CAS
91990-63-5- Nikkaji
- J246.211G
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 278 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 65
- 형식 전하
- 0
- 복잡도
- 1,790
물리화학적 성질
- 끓는 점
- 1012.1 · 1012.1±65.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.76 · 12.76±0.70(Predicted)
화학 및 산업
응용 분야
용도Saikosaponin H is an anti-influenza triterpenoid saponin from the roots of Bupleurum marginatum var. stenophyllum.
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