Name: Chromomycin A3
Rating: 5 (10 reviews)

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HIT ID:HIT212038461
Cas No:7059-24-7
常用名:Chromomycin A3
IUPAC:(2R,3S,4R,6S)-6-{[(6S,7S)-6-{[(2S,4R,5R,6R)-4-{[(2S,4R,5R,6R)-4-{[(2S,4S,5S,6S)-5-(acetyloxy)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-7-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-4,10-dihydroxy-3-methyl-5-oxo-5,6,7,8-tetrahydroanthracen-2-yl]oxy}-4-{[(2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy}-2-methyloxan-3-yl acetate
IUPAC:(2R,3S,4R,6S)-6-{[(6S,7S)-6-{[(2S,4R,5R,6R)-4-{[(2S,4R,5R,6R)-4-{[(2S,4S,5S,6S)-5-(acetyloxy)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-7-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-4,10-dihydroxy-3-methyl-5-oxo-5,6,7,8-tetrahydroanthracen-2-yl]oxy}-4-{[(2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy}-2-methyloxan-3-yl acetate
InChI key:ZYVSOIYQKUDENJ-WKSBCEQHSA-N

分子式:C57H82O26
分子量:1183.257
氢键供体数 (HBD):8
氢键受体数 (HBA):24
LogP:3.598
SMILES:[H][C@]1(C[C@@H](O)[C@@H](OC)[C@@H](C)O1)O[C@@H]1C[C@]([H])(Oc2cc3cc4C[C@@]([H])([C@H](OC)C(=O)[C@@H](O)[C@@H](C)O)[C@H](O[C@@]5([H])C[C@@H](O[C@@]6([H])C[C@@H](O[C@@]7([H])C[C@](C)(O)[C@@H](OC(C)=O)[C@H](C)O7)[C@H](O)[C@@H](C)O6)[C@H](O)[C@@H](C)O5)C(=O)c4c(O)c3c(O)c2C)O[C@H](C)[C@@H]1OC(C)=O
SMILES:[H][C@]1(C[C@@H](O)[C@@H](OC)[C@@H](C)O1)O[C@@H]1C[C@]([H])(Oc2cc3cc4C[C@@]([H])([C@H](OC)C(=O)[C@@H](O)[C@@H](C)O)[C@H](O[C@@]5([H])C[C@@H](O[C@@]6([H])C[C@@H](O[C@@]7([H])C[C@](C)(O)[C@@H](OC(C)=O)[C@H](C)O7)[C@H](O)[C@@H](C)O6)[C@H](O)[C@@H](C)O5)C(=O)c4c(O)c3c(O)c2C)O[C@H](C)[C@@H]1OC(C)=O

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