2-O-β-D-Glucopyranosylcucurbitacin F 25-acetate
HIT218847239
sdf文件结构编辑类似物检索
HIT ID: HIT218847239
Cas No: 117869-71-3
分子式: C38H58O13
分子量: 722.869
常用名: 2-O-β-D-Glucopyranosylcucurbitacin F 25-acetate
常用名: 2-O-β-D-Glucopyranosylcucurbitacin F 25-acetate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 6-(2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
IUPAC: 6-(2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
SMILES: CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)C(=O)CC12C
SMILES: CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)C(=O)CC12C
InChI key: JXLGHGQDRCPDGI-UHFFFAOYSA-N
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