(2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxy-2,3-dihydrochromen-4-one

HCID 3035218

노트 반응

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기본 정보

표준 SMILES: COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H]4O)cc3O2)cc1OC
InChIKey: GUMSHIGGVOJLBP-CTUUZZHSSA-N
분자식: C29H36O15
평균 분자량: 624.6 g/mol

개요

methyl hesperidin has been reported in Plantago depressa with data available.

이름 및 식별자

우선 이름: (2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxy-2,3-dihydrochromen-4-one
IUPAC: (2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one

이름 및 동의어

(2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one(2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-7-((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxy-2,3-dihydrochromen-4-oneRefChem:1049939SCHEMBL25307874GUMSHIGGVOJLBP-CTUUZZHSSA-NAKOS015895874

데이터베이스 식별자

PubChem CID: 3035218

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 223 Å²
수소 결합 공여자 수: 7
수소 결합 수용자 수: 15
회전 가능 결합 수: 8
무거운 원자 수: 44
형식 전하: 0
복잡도: 956

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