Name: Hoodigoside I
Rating: 5 (10 reviews)

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HIT ID:HIT212524242
Cas No:946409-71-8
常用名:Hoodigoside I
IUPAC:(1S,3aS,3bR,7S,9aR,11R,11aS)-1-acetyl-3a-hydroxy-7-{[(2R,4S,5R,6R)-4-methoxy-5-{[(2S,4S,5R,6R)-4-methoxy-5-{[(2S,4S,5R,6R)-4-methoxy-5-{[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl (2E)-2-methylbut-2-enoate
IUPAC:(1S,3aS,3bR,7S,9aR,11R,11aS)-1-acetyl-3a-hydroxy-7-{[(2R,4S,5R,6R)-4-methoxy-5-{[(2S,4S,5R,6R)-4-methoxy-5-{[(2S,4S,5R,6R)-4-methoxy-5-{[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl (2E)-2-methylbut-2-enoate
InChI key:CTEPYEUIZNZLPO-VGPNSHIZSA-N

分子式:C60H96O22
分子量:1169.406
氢键供体数 (HBD):5
氢键受体数 (HBA):21
LogP:4.991
SMILES:[H][C@@]12CC=C3C[C@H](CC[C@]3(C)C1C[C@@H](OC(=O)C(\C)=C\C)[C@]1(C)[C@H](CC[C@]21O)C(C)=O)O[C@H]1C[C@H](OC)[C@H](O[C@H]2C[C@H](OC)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@@H](OC)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1 |t:3|
SMILES:[H][C@@]12CC=C3C[C@H](CC[C@]3(C)C1C[C@@H](OC(=O)C(\C)=C\C)[C@]1(C)[C@H](CC[C@]21O)C(C)=O)O[C@H]1C[C@H](OC)[C@H](O[C@H]2C[C@H](OC)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@@H](OC)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1 |t:3|

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