[(4S,6R,9E,11R,12R)-11-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-(methylamino)oxan-2-yl]oxy-4-[(4R)-2-oxo-1,3-dioxolan-4-yl]-5-oxatricyclo[8.3.0.04,6]trideca-1(13),9-dien-2,7-diyn-12-yl] 7-methoxy-5-methylnaphthalene-1-carboxylate

HCID 44581473

기본 정보

표준 SMILES
CN[C@H]1[C@@H](O[C@@H]2/C3=C/C#C[C@H]4O[C@@]4([C@H]4COC(=O)O4)C#CC3=C[C@H]2OC(=O)c2cccc3c(C)cc(OC)cc23)O[C@H](C)[C@H](O)[C@@H]1O
InChIKey
INENPLBOLCGOAH-RFNBFDFKSA-N
분자식
C35H33NO11
평균 분자량
643.6 g/mol

이름 및 식별자

우선 이름
[(4S,6R,9E,11R,12R)-11-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-(methylamino)oxan-2-yl]oxy-4-[(4R)-2-oxo-1,3-dioxolan-4-yl]-5-oxatricyclo[8.3.0.04,6]trideca-1(13),9-dien-2,7-diyn-12-yl] 7-methoxy-5-methylnaphthalene-1-carboxylate
IUPAC
[(4S,6R,9E,11R,12R)-11-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-(methylamino)oxan-2-yl]oxy-4-[(4R)-2-oxo-1,3-dioxolan-4-yl]-5-oxatricyclo[8.3.0.04,6]trideca-1(13),9-dien-2,7-diyn-12-yl] 7-methoxy-5-methylnaphthalene-1-carboxylate

이름 및 동의어

CHEMBL454708SCHEMBL29458479INENPLBOLCGOAH-RFNBFDFKSA-N

데이터베이스 식별자

PubChem CID
44581473
ChEMBL
CHEMBL454708

물성

구조 계산 물성

XLogP
1.8
극성 표면적
155 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
12
회전 가능 결합 수
8
무거운 원자 수
47

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