methyl 4-[2-[2-(3,4-dihydroxyphenyl)-2-ethoxyethoxy]-2-oxoethyl]-5-ethylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
기본 정보
- 표준 SMILES
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC(OCC)c1ccc(O)c(O)c1- InChIKey
RDLNVCALMXCDOJ-UHFFFAOYSA-N- 분자식
- C27H36O14
- 평균 분자량
- 584.6 g/mol
- 단동위원소 질량
- 584.21050583
개요
methyl 4-[2-[2-(3,4-dihydroxyphenyl)-2-ethoxyethoxy]-2-oxoethyl]-5-ethylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate has been reported in Ligustrum lucidum with data available.
이름 및 식별자
- 우선 이름
- methyl 4-[2-[2-(3,4-dihydroxyphenyl)-2-ethoxyethoxy]-2-oxoethyl]-5-ethylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
- IUPAC
- methyl 4-[2-[2-(3,4-dihydroxyphenyl)-2-ethoxyethoxy]-2-oxoethyl]-5-ethylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
물성
구조 계산 물성
- XLogP
- -0.7
- 극성 표면적
- 211 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 937
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