4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-2-(3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl)-5-hydroxy-
기본 정보
- CAS
75213-00-2- 표준 SMILES
CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(OC5OC(CO)C(O)C(O)C5O)c4)oc4cc(OC5OC(CO)C(O)C(O)C5O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O- InChIKey
OMIUWTZERGHBER-UHFFFAOYSA-N- 분자식
- C39H50O26
- 평균 분자량
- 934.8 g/mol
- 단동위원소 질량
- 934.2590317
이름 및 식별자
- 우선 이름
- 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-2-(3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl)-5-hydroxy-
- IUPAC
- 5-hydroxy-2-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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
75213-00-24H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-2-(3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl)-5-hydroxy-4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-7-(beta-D-glucopyranosyloxy)-2-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-RefChem:297286Quercetin 3-rutinoside-7,3'-diglucosideDTXSID001099365Quercetin 3-rutinoside 3',7-diglucoside4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosyl]oxy]-7-(I(2)-D-glucopyranosyloxy)-2-[3-(I(2)-D-glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-
데이터베이스 식별자
- CAS
75213-00-2- PubChem CID
- 74978176
- DTXSID
DTXSID001099365
물성
구조 계산 물성
- XLogP
- -4.9
- 극성 표면적
- 424 Ų
- 수소 결합 공여자 수
- 16
- 수소 결합 수용자 수
- 26
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 65
- 형식 전하
- 0
- 복잡도
- 1,630
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
관련 반응
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