Helonioside B
HIT102850599
sdf文件结构编辑类似物检索
HIT ID: HIT102850599
Cas No: 107647-21-2
分子式: C34H40O18
分子量: 736.676
常用名: Helonioside B
氢键受体数 (HBA): 15
氢键供体数 (HBD): 7
LogP: 1.058
IUPAC: [(2R,3R,4S,5S)-5-{[(2R,3R,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-5-(hydroxymethyl)oxolan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
IUPAC: [(2R,3R,4S,5S)-5-{[(2R,3R,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-5-(hydroxymethyl)oxolan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SMILES: COc1cc(\C=C\C(=O)OC[C@H]2O[C@@](CO)(O[C@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)\C=C\c3ccc(O)c(OC)c3)[C@@H]2O)ccc1O
SMILES: COc1cc(\C=C\C(=O)OC[C@H]2O[C@@](CO)(O[C@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)\C=C\c3ccc(O)c(OC)c3)[C@@H]2O)ccc1O
InChI key: JYCVXPNFPCYFKL-LCYVLNELSA-N
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