Octyl 2,6-di-O-benzoyl-3-O-(2,3,4-tri-O-benzyl-alpha-L-fucopyranosyl)-4-O-(2,6-di-O-benzoyl-beta-D-galactopyranosyl)-beta-D-glucopyranoside (HCID 22868661)

기본 정보

표준 SMILES: CCCCCCCCO[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](O)[C@H](O)[C@H]2OC(=O)c2ccccc2)[C@H](O[C@@H]2O[C@@H](C)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)[C@H]1OC(=O)c1ccccc1
InChIKey: VRFJAOVWVAILHW-GTPDIRQYSA-N
분자식: C75H82O19
평균 분자량: 1,287.4 g/mol

이름 및 식별자

우선 이름: Octyl 2,6-di-O-benzoyl-3-O-(2,3,4-tri-O-benzyl-alpha-L-fucopyranosyl)-4-O-(2,6-di-O-benzoyl-beta-D-galactopyranosyl)-beta-D-glucopyranoside
IUPAC: [(2R,3R,4S,5R,6S)-5-benzoyloxy-6-[(2R,3R,4S,5R,6R)-5-benzoyloxy-2-(benzoyloxymethyl)-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-octoxyoxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl benzoate

이름 및 동의어

SCHEMBL8577137VRFJAOVWVAILHW-GTPDIRQYSA-NOctyl 2,6-di-O-benzoyl-3-O-(2,3,4-tri-O-benzyl-alpha-L-fucopyranosyl)-4-O-(2,6-di-O-benzoyl-beta-D-galactopyranosyl)-beta-D-glucopyranosideOctyl 2.6-di-O-benzoyl-3-O-(2,3,4-tri-O-benzyl-alpha-L -fucopyranosyl)-4-O-(2,6-di-O-benzoyl -beta-D-galactopyranosyl)-beta-D-glucopyranoside

데이터베이스 식별자

PubChem CID: 22868661

물성

구조 계산 물성

XLogP: 12.6
극성 표면적: 229 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 19
회전 가능 결합 수: 35
무거운 원자 수: 94
형식 전하: 0
복잡도: 2,180

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