7-[4-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyphenyl]-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one
기본 정보
- 표준 SMILES
COc1c2c(cc3occ(-c4ccc(OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)cc4)c(=O)c13)OCO2- InChIKey
WSMBOPLKCMDBPQ-UHFFFAOYSA-N- 분자식
- C35H42O20
- 평균 분자량
- 782.7 g/mol
- 단동위원소 질량
- 782.22694374
개요
7-[4-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyphenyl]-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one has been reported in Iris × germanica with data available.
이름 및 식별자
- 우선 이름
- 7-[4-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyphenyl]-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one
- IUPAC
- 7-[4-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyphenyl]-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one
물성
구조 계산 물성
- XLogP
- -2.4
- 극성 표면적
- 291 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,330
관련 반응
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