[3,4-Dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
기본 정보
- CAS
218963-78-1- 표준 SMILES
O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2cc3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O- InChIKey
ABHFLYVGOLPRKB-UHFFFAOYSA-O- 분자식
- C42H47O22+
- 평균 분자량
- 903.8 g/mol
- 단동위원소 질량
- 903.25589812
이름 및 식별자
- 우선 이름
- [3,4-Dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
- IUPAC
- [3,4-dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
데이터베이스 식별자
- CAS
218963-78-1- PubChem CID
- 74976906
물성
구조 계산 물성
- 극성 표면적
- 346 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 64
- 형식 전하
- 1
- 복잡도
- 1,490
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
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