클레몬타노사이드F
[4,5-Dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl] 2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
기본 정보
- CAS
154278-77-0- 표준 SMILES
CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O- InChIKey
KVSXTGWXFLGTCE-UHFFFAOYSA-N- 분자식
- C54H88O22
- 평균 분자량
- 1,089.3 g/mol
이름 및 식별자
- 우선 이름
- [4,5-Dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl] 2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
- IUPAC
- [4,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl] 2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
- 현지명
- 클레몬타노사이드F
- 영어명
- clemontanoside F
- 분자식
- C54H88O22
- 분자량
- 1089.28
이름 및 동의어
클레몬타노사이드Fclemontanoside FOlean-12-en-28-oic acid, 3-(β-D-glucopyranosyloxy)-, O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-galactopyranosyl-(1→6)]-β-D-glucopyranosyl ester, (3β)- (9CI)
데이터베이스 식별자
- CAS
154278-77-0
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 354 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 22
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 76
- 형식 전하
- 0
- 복잡도
- 2,100
물리화학적 성질
- 밀도
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.59 · 12.59±0.70(Predicted)
관련 반응
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