Ligurobustoside N
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기본 정보
- CAS
583058-07-5- 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](CO)[C@H]3OC(=O)/C=C/c3ccc(O)c(O)c3)O[C@H]2C)[C@H](O)[C@H](O)[C@H]1O- InChIKey
SQXKPAMOLXJEEU-FVCUGLHDSA-N- 분자식
- C35H46O18
- 평균 분자량
- 754.7 g/mol
개요
(2R,3R,4R,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]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate has been reported in Ligustrum robustum with data available.
이름 및 식별자
- 우선 이름
- Ligurobustoside N
- IUPAC
- [(2R,3R,4R,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-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- 영어명
- Ligurobustoside N
- 분자식
- C35H46O18
- 분자량
- 754.73
이름 및 동의어
LIGUROBUSTOSIDE N583058-07-5[(2R,3R,4R,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-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate((2R,3R,4R,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-5-hydroxy-2-(hydroxymethyl)-6-(2-(4-hydroxyphenyl)ethoxy)oxan-3-yl) (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateRefChem:153433LigurobustosideNCHEMBL502885orb1992042SCHEMBL23494890HY-N1947AKOS040734705CS-0018260
이름 더 보기
β-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→3)-, 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
물성
구조 계산 물성보충 중
- 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
- 994.6 · 994.6±65.0 °C(Predicted)
- 밀도
- 1.57 · 1.57±0.1 g/cm3 (20 ºC 760 Torr)
- 산도 계수 (pKa)
- 9.31 · 9.31±0.10(Predicted)
관련 반응
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