기본 정보
- 표준 SMILES
CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1O- InChIKey
MGCIVWNKCIWQHX-QPJJXVBHSA-N- 분자식
- C35H46O20
- 평균 분자량
- 786.7 g/mol
- 단동위원소 질량
- 786.25824387
개요
Magnoloside B is an oligosaccharide.
이름 및 식별자
- 우선 이름
- Magnoloside B
- IUPAC
- [2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
이름 및 동의어
Magnoloside B116872-05-0[2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate(2-(2-(3,4-dihydroxyphenyl)ethoxy)-5-hydroxy-6-((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl) (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateRefChem:1553002-(3,4-Dihydroxyphenethoxy)-5-hydroxy-6-(((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3-((3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-4-yl 3-(3,4-dihydroxyphenyl)acrylateSCHEMBL31621490CHEBI:81269TN7134C17679Q27155210
데이터베이스 식별자
- ChEBI
CHEBI:81269
물성
구조 계산 물성
- XLogP
- -2.1
- 극성 표면적
- 324 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,230
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