기본 정보
- 표준 SMILES
Cc1cc(OCCC(=O)NC(C)(C)C(=O)NCCCO)ccc1Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)n[nH]c1C(C)C- InChIKey
XAXSNNSJNPJIGJ-DEPSJERBSA-N- 분자식
- C30H46N4O10
- 평균 분자량
- 622.7 g/mol
이름 및 식별자
- 우선 이름
- 3-(beta-D-Glucopyranosyloxy)-4-[(4-{2-[1-(3-hydroxypropyl-carbamoyl)-1-(methyl)ethylcarbamoyl]ethoxy}-2-methyl-phenyl)methyl]-5-isopropyl-1H-pyrazole
- IUPAC
- N-(3-hydroxypropyl)-2-methyl-2-[3-[3-methyl-4-[[5-propan-2-yl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazol-4-yl]methyl]phenoxy]propanoylamino]propanamide
이름 및 동의어
SCHEMBL3167554XAXSNNSJNPJIGJ-DEPSJERBSA-N3-(beta-D-Glucopyranosyloxy)-4-[(4-{2-[1-(3-hydroxypropyl-carbamoyl)-1-(methyl)ethylcarbamoyl]ethoxy}-2-methyl-phenyl)methyl]-5-isopropyl-1H-pyrazole3-(beta-D-Glucopyranosyloxy)-4-[(4-{2-[1-(3-hydroxypropyl-carbamoyl)-1-(methyl)ethylcarbamoyl]ethoxy}-2-methylphenyl)methyl]-5-isopropyl-1H-pyrazole3-(beta-D-Glucopyranosyloxy)-4-[(4-{2-[1-(3-hydroxypropylcarbamoyl)-1-(methyl)-ethylcarbamoyl]ethoxy}-2-methylphenyl)methyl]-5-isopropyl-1H-pyrazole
데이터베이스 식별자
- PubChem CID
- 68535951
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 216 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 911
관련 반응
2건
화합물 노트
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