Rhodojaponin II
HIT212664557
sdf文件结构编辑类似物检索
HIT ID: HIT212664557
Cas No: 26116-89-2
分子式: C22H34O7
分子量: 410.507
常用名: Rhodojaponin II
氢键受体数 (HBA): 6
氢键供体数 (HBD): 4
LogP: -0.4254123
IUPAC: (1S,3R,4R,6R,8S,9S,10R,11R,14R,15R,17R)-4,10,15,17-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.0^{1,11}.0^{4,9}.0^{6,8}]heptadecan-3-yl acetate
IUPAC: (1S,3R,4R,6R,8S,9S,10R,11R,14R,15R,17R)-4,10,15,17-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.0^{1,11}.0^{4,9}.0^{6,8}]heptadecan-3-yl acetate
SMILES: CC(=O)O[C@@H]1C[C@]23C[C@@](C)(O)[C@H](CC[C@H]2[C@@](C)(O)[C@@H]2[C@@H]4O[C@@H]4C(C)(C)[C@@]12O)[C@H]3O |THB:28:27:7.8:12.13.14|
SMILES: CC(=O)O[C@@H]1C[C@]23C[C@@](C)(O)[C@H](CC[C@H]2[C@@](C)(O)[C@@H]2[C@@H]4O[C@@H]4C(C)(C)[C@@]12O)[C@H]3O |THB:28:27:7.8:12.13.14|
InChI key: FJISLLRXVSQIES-JOIIKWRGSA-N
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