(6R,6aS,14aR)-methyl 1,6,8,14a-tetrahydroxy-11-((2S,3R,4R,5R,6S)-4-hydroxy-3,5-dimethoxy-6-methyltetrahydro-2H-pyran-2-ylamino)-6a-methoxy-3-methyl-4-nitro-7,9,12,14-tetraoxo-5,6,6a,7,9,12,14,14a-octahydrobenzo[a]tetracene-2-carboxylate

HCID 56600592
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기본 정보

표준 SMILES
COC(=O)c1c(C)c([N+](=O)[O-])c2c(c1O)[C@]1(O)C(=O)c3cc4c(c(O)c3C(=O)[C@]1(OC)[C@H](O)C2)C(=O)C=C(N[C@H]1O[C@@H](C)[C@H](OC)[C@@H](O)[C@H]1OC)C4=O
InChIKey
WZCRPRHMKFLXCF-AUOWHTPZSA-N
분자식
C34H34N2O17
평균 분자량
742.6 g/mol

이름 및 식별자

우선 이름
(6R,6aS,14aR)-methyl 1,6,8,14a-tetrahydroxy-11-((2S,3R,4R,5R,6S)-4-hydroxy-3,5-dimethoxy-6-methyltetrahydro-2H-pyran-2-ylamino)-6a-methoxy-3-methyl-4-nitro-7,9,12,14-tetraoxo-5,6,6a,7,9,12,14,14a-octahydrobenzo[a]tetracene-2-carboxylate
IUPAC
methyl (6R,6aS,14aR)-1,6,8,14a-tetrahydroxy-11-[[(2S,3R,4R,5R,6S)-4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl]amino]-6a-methoxy-3-methyl-4-nitro-7,9,12,14-tetraoxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate

이름 및 동의어

SCHEMBL1687277WZCRPRHMKFLXCF-AUOWHTPZSA-N(6R,6aS,14aR)-methyl 1,6,8,14a-tetrahydroxy-11-((2S,3R,4R,5R,6S)-4-hydroxy-3,5-dimethoxy-6-methyltetrahydro-2H-pyran-2-ylamino)-6a-methoxy-3-methyl-4-nitro-7,9,12,14-tetraoxo-5,6,6a,7,9,12,14,14a-octahydrobenzo[a]tetracene-2-carboxylate

데이터베이스 식별자

PubChem CID
56600592

물성

구조 계산 물성

XLogP
0.9
극성 표면적
291 Ų
수소 결합 공여자 수
6
수소 결합 수용자 수
18
회전 가능 결합 수
7
무거운 원자 수
53

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