5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one

HCID 44587252

기본 정보

표준 SMILES: COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)cc1
InChIKey: NGMYNFJANBHLKA-XAPMVYOVSA-N
분자식: C27H30O10
평균 분자량: 514.5 g/mol

개요

5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one has been reported in Epimedium wushanense with data available.

이름 및 식별자

우선 이름: 5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
IUPAC: 5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

이름 및 동의어

RefChem:10722575,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-oneCHEMBL497293SCHEMBL4229328NGMYNFJANBHLKA-XAPMVYOVSA-NBDBM50272526

데이터베이스 식별자

PubChem CID: 44587252

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 155 Å²
수소 결합 공여자 수: 5
수소 결합 수용자 수: 10
회전 가능 결합 수: 6
무거운 원자 수: 37
형식 전하: 0
복잡도: 874

공급사

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공개 문의

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화합물 노트

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부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)cc1
InChIKey: NGMYNFJANBHLKA-XAPMVYOVSA-N
분자식: C27H30O10
평균 분자량: 514.5 g/mol

개요

5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one has been reported in Epimedium wushanense with data available.