기본 정보
- CAS
288143-27-1- 표준 SMILES
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@@]3(O)[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C- InChIKey
XEMVQWDHRXAQNR-YVEJFGEMSA-N- 분자식
- C44H70O18
- 평균 분자량
- 887 g/mol
- 단동위원소 질량
- 886.45621538
개요
Cixiophiopogon A has been reported in Ophiopogon japonicus with data available.
이름 및 식별자
- 우선 이름
- Cixiophiopogon A
- IUPAC
- (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[(1R,2R,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-2,8-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
- 영어명
- Ophiogenin-3-O-α-L-rhaMnopyranosyl(1→2)[β-D-xylopyranosyl(1→3)]-β-D-glucopyranoside
- 분자식
- C44H70O18
- 분자량
- 887.02
이름 및 동의어
Cixiophiopogon A(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[(1R,2R,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-2,8-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol(2S,3R,4R,5R,6S)-2-((2R,3R,4S,5R,6R)-2-((1R,2R,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-2,8-dihydroxy-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icos-18-ene-6,2'-oxane)-16-yl)oxy-5-hydroxy-6-(hydroxymethyl)-4-((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl)oxy-6-methyloxane-3,4,5-triolRefChem:1082004288143-27-1cixi-ophiopogon Aorb1690894HY-N2175AKOS037515158T3S1253DA-62356MS-31649
이름 더 보기
Ophiogenin 3-O-α-L-rhamnopyranosyl(1→2)[β-D-xylopyranosyl...Ophiogenin-3-O-α-L-rhaMnopyranosyl(1→2)[β-D-xylopyranosyl(1→3)]-β-D-glucopyranosideOphiogenin 3-O-α-L-rhamnopyranosyl(1→2)[β-D-xylopyranosyl(1→3)]-β-D-glucopyranoside
물성
구조 계산 물성
- XLogP
- -0.8
- 극성 표면적
- 276 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 62
- 형식 전하
- 0
- 복잡도
- 1,670
물리화학적 성질
- 밀도
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 12.78 · 12.78±0.70(Predicted)
- 색상
- White to off-white
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…