기본 정보
- 표준 SMILES
COc1ccc(CCO[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(OC)c3)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O- InChIKey
MTKGYCQUEWGDQW-YPKPLGFHSA-N- 분자식
- C31H40O16
- 평균 분자량
- 668.6 g/mol
- 단동위원소 질량
- 668.2316352
개요
[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate has been reported in Plantago asiatica and Plantago major with data available.
이름 및 식별자
- 우선 이름
- [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
- IUPAC
- [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 244 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 985
관련 반응
0건
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