16-[4-Hydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
기본 정보
- 표준 SMILES
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C1C2C- InChIKey
FUFWMYZFCUYUFQ-UHFFFAOYSA-N- 분자식
- C55H88O26
- 평균 분자량
- 1,165.3 g/mol
- 단동위원소 질량
- 1,164.55638294
개요
FUFWMYZFCUYUFQ-UHFFFAOYSA-N has been reported in Tribulus terrestris with data available.
이름 및 식별자
- 우선 이름
- 16-[4-Hydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
- IUPAC
- 16-[4-hydroxy-5-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
물성
구조 계산 물성
- XLogP
- -3.1
- 극성 표면적
- 391 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 26
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 81
- 형식 전하
- 0
- 복잡도
- 2,170
관련 반응
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