25-Anhydrocimigenol 3-O-beta-D-xyloside
HIT214315559
sdf文件结构编辑类似物检索
HIT ID: HIT214315559
Cas No: 181765-11-7
分子式: C35H54O8
分子量: 602.809
常用名: 25-Anhydrocimigenol 3-O-beta-D-xyloside
常用名: 25-Anhydrocimigenol 3-O-beta-D-xyloside
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3R,4S,5R)-2-{[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22R)-2-hydroxy-3,8,8,17,19-pentamethyl-22-(prop-1-en-2-yl)-23,24-dioxaheptacyclo[19.2.1.0^{1,18}.0^{3,17}.0^{4,14}.0^{7,12}.0^{12,14}]tetracosan-9-yl]oxy}oxane-3,4,5-triol
IUPAC: (2S,3R,4S,5R)-2-{[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22R)-2-hydroxy-3,8,8,17,19-pentamethyl-22-(prop-1-en-2-yl)-23,24-dioxaheptacyclo[19.2.1.0^{1,18}.0^{3,17}.0^{4,14}.0^{7,12}.0^{12,14}]tetracosan-9-yl]oxy}oxane-3,4,5-triol
SMILES: [H][C@]12[C@H](C)C[C@H]3O[C@@]1(O[C@@H]3C(C)=C)[C@H](O)[C@@]1(C)[C@]3([H])CC[C@]4([H])[C@]5(C[C@@]35CC[C@]21C)CC[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C4(C)C
SMILES: [H][C@]12[C@H](C)C[C@H]3O[C@@]1(O[C@@H]3C(C)=C)[C@H](O)[C@@]1(C)[C@]3([H])CC[C@]4([H])[C@]5(C[C@@]35CC[C@]21C)CC[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C4(C)C
InChI key: CVBALRXHSITZGC-PVGNLWKZSA-N
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