3,5-dihydroxy-6-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
기본 정보
- 표준 SMILES
CC(C)(O)CCc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1O)C(=O)C(O)C(c1ccc(O)cc1)O2- InChIKey
YXACCHLOUSCDDR-OAOFYEKTSA-N- 분자식
- C26H32O12
- 평균 분자량
- 536.5 g/mol
- 단동위원소 질량
- 536.18937646
개요
7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-3,5-dihydroxy-6-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one has been reported in Phellodendron amurense with data available.
이름 및 식별자
- 우선 이름
- 3,5-dihydroxy-6-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
- IUPAC
- 3,5-dihydroxy-6-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
데이터베이스 식별자
- Nikkaji
- J88.812E
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 207 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 801
관련 반응
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