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name Structure Reference Source Properties Activities Metabolism

(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl (4aS,6aR,6bR,7S,8R,8aR,10S,12aR,12bR,14bS)-10-{[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy

AlkaPlorer ID: AK128167

Synonym: None

IUPAC Name: [(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aR,6bR,7S,8R,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-7,8-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Structure

SMILES: CC(O)=N[C@H]1[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@](O)(CO)[C@H]6O)CC[C@@]5(C)[C@]4(C)[C@H](O)[C@H](O)[C@H]3C2(C)C)O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O

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InChI: InChI=1S/C59H95NO27/c1-24(63)60-33-42(85-49-40(72)35(67)28(65)20-79-49)37(69)30(21-80-48-39(71)34(66)27(64)19-78-48)83-47(33)84-32-11-12-55(6)31-10-9-25-26-17-53(2,3)13-15-58(26,16-14-56(25,7)57(31,8)45(74)41(73)44(55)54(32,4)5)52(76)87-50-43(38(70)36(68)29(18-61)82-50)86-51-46(75)59(77,22-62)23-81-51/h9,26-51,61-62,64-75,77H,10-23H2,1-8H3,(H,60,63)/t26-,27-,28+,29+,30+,31+,32-,33+,34-,35-,36+,37+,38-,39+,40+,41+,42+,43+,44-,45+,46-,47-,48-,49-,50-,51-,55+,56+,57-,58-,59+/m0/s1

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InChIKey: OKOPRPQXSOFTGY-PBULNIIPSA-N

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Properties Information

Molecule Weight: 1250.3890000000006

TPSA？: 445.4100000000002

MolLogP？: -3.3664999999999874

Number of H-Donors: 16

Number of H-Acceptors: 27

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information