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5-Hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one

HCID 5351997
노트반응
기본 정보개요이름 및 식별자물성관련 반응화합물 노트
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기본 정보

CAS
81992-85-0
표준 SMILES
CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(OC5OC(C)C(O)C(O)C5O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O
InChIKey
PEFASEPMJYRQBW-UHFFFAOYSA-N
분자식
C33H40O19
평균 분자량
740.7 g/mol
단동위원소 질량
740.21637904

개요

Robinin has been reported in Astragalus cicer, Melilotus officinalis, and Equisetum with data available.

이름 및 식별자

우선 이름
5-Hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
IUPAC
5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one

이름 및 동의어

81992-85-0NSC9222Kaempferol, robinosideSCHEMBL241940DTXSID30871629AKOS002137985AKOS0216175125-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-oneAJ-738/211660415-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one7-[(6-Deoxyhexopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside

데이터베이스 식별자

CAS
81992-85-0
PubChem CID
5351997
DTXSID
DTXSID30871629

물성

구조 계산 물성

XLogP
-2.2
극성 표면적
304 Ų
수소 결합 공여자 수
11
수소 결합 수용자 수
19
회전 가능 결합 수
8
무거운 원자 수
52
형식 전하
0
복잡도
1,260

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