Lanost-7-en-18-oic acid, 23-(acetyloxy)-20-hydroxy-3-[(O-3-O-methyl-beta-D-glucopyranosyl-(1-->3)-O-beta-D-glucopyranosyl-(1-->4)-O-[O-3-O-methyl-beta-D-glucopyranosyl-(1-->3)-O-beta-D-xylopyranosyl-(1-->4)-6-deoxy-beta-D-glucopyranosyl-(1-->2)]-beta-D-xylopyranosyl)oxy]-, gamma-lactone, (3beta,9beta,23S)-
기본 정보
- CAS
78244-73-2- 표준 SMILES
COC1C(O)C(CO)OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC5CCC6(C)C7CCC89C(=O)OC(C)(CC(CC(C)C)OC(C)=O)C8CCC9(C)C7=CCC6C5(C)C)OCC(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC)C6O)C5O)C4O)C(O)C3O)C2O)C1O- InChIKey
OHVCWYKNFLTBKL-UHFFFAOYSA-N- 분자식
- C68H110O32
- 평균 분자량
- 1,439.6 g/mol
- 단동위원소 질량
- 1,438.6980213
이름 및 식별자
- 우선 이름
- Lanost-7-en-18-oic acid, 23-(acetyloxy)-20-hydroxy-3-[(O-3-O-methyl-beta-D-glucopyranosyl-(1-->3)-O-beta-D-glucopyranosyl-(1-->4)-O-[O-3-O-methyl-beta-D-glucopyranosyl-(1-->3)-O-beta-D-xylopyranosyl-(1-->4)-6-deoxy-beta-D-glucopyranosyl-(1-->2)]-beta-D-xylopyranosyl)oxy]-, gamma-lactone, (3beta,9beta,23S)-
- IUPAC
- [1-[16-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-6-yl]-4-methylpentan-2-yl] acetate
- 영어명
- stichloroside C1
- 분자식
- C68H110O32
- 분자량
- 1439.5818
이름 및 동의어
78244-73-2Lanost-7-en-18-oic acid, 23-(acetyloxy)-20-hydroxy-3-[(O-3-O-methyl-beta-D-glucopyranosyl-(1-->3)-O-beta-D-glucopyranosyl-(1-->4)-O-[O-3-O-methyl-beta-D-glucopyranosyl-(1-->3)-O-beta-D-xylopyranosyl-(1-->4)-6-deoxy-beta-D-glucopyranosyl-(1-->2)]-beta-D-xylopyranosyl)oxy]-, gamma-lactone, (3beta,9beta,23S)-DTXSID801383405Lanost-7-en-18-oic acid, 23-(acetyloxy)-20-hydroxy-3-[(O-3-O-methyl-I(2)-D-glucopyranosyl-(1a3)-O-I(2)-D-glucopyranosyl-(1a4)-O-[O-3-O-methyl-I(2)-D-glucopyranosyl-(1a3)-O-I(2)-D-xylopyranosyl-(1a4)-6-deoxy-I(2)-D-glucopyranosyl-(1a2)]-I(2)-D-xylopyranosyl)oxy]-, I(3)-lactone, (3I(2),9I(2),23S)-stichloroside C1
데이터베이스 식별자
- CAS
78244-73-2- PubChem CID
- 74000011
- DTXSID
DTXSID801383405
물성
구조 계산 물성
- XLogP
- -1.3
- 극성 표면적
- 465 Ų
- 수소 결합 공여자 수
- 14
- 수소 결합 수용자 수
- 32
- 회전 가능 결합 수
- 23
- 무거운 원자 수
- 100
- 형식 전하
- 0
- 복잡도
- 2,800
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