Name: Gylongiposide I
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT218849939
Cas No:206876-12-2
常用名:Gylongiposide I
别名:长梗绞股蓝皂苷 I
IUPAC:(1S,3aR,3bR,5aS,7S,9aS,9bS,11aR)-1-[(2S)-1,2-dihydroxy-6-methylhept-5-en-2-yl]-7-{[(2S,3R,4S,5S)-5-hydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3a,3b,6,6-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde
IUPAC:(1S,3aR,3bR,5aS,7S,9aS,9bS,11aR)-1-[(2S)-1,2-dihydroxy-6-methylhept-5-en-2-yl]-7-{[(2S,3R,4S,5S)-5-hydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3a,3b,6,6-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde
InChI key:GCXPWGOMZLYWLE-PGSPPWFOSA-N

分子式:C46H76O16
分子量:885.098
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@]2(C)[C@]1([H])CC[C@@]1([H])[C@@]2(C)CC[C@@]2([H])C(C)(C)[C@H](CC[C@]12C=O)O[C@@H]1OC[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)[C@](O)(CO)CCC=C(C)C
SMILES:[H][C@@]1(CC[C@]2(C)[C@]1([H])CC[C@@]1([H])[C@@]2(C)CC[C@@]2([H])C(C)(C)[C@H](CC[C@]12C=O)O[C@@H]1OC[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)[C@](O)(CO)CCC=C(C)C

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