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name Structure Reference Source Properties Activities Metabolism

N-[(2R,3R,4R,5S,6R)-2-({2-[(2S,4aS,8aS)-6-[(3S,4aR,5R,6aR,7R,9aR,9bS)-5-hydroxy-6a,9b-dimethyl-3-(2-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-decahydroindeno[5,4-b]pyran-7-yl]-4a-methyl-2,3,4,7,8,8a-hexahydro-1-benzop

AlkaPlorer ID: AK230622

Synonym: None

IUPAC Name: N-[(2R,3R,4R,5S,6R)-2-[2-[(2S,4aS,8aS)-6-[(3S,4aR,5R,6aR,7R,9aR,9bS)-5-hydroxy-6a,9b-dimethyl-3-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,2,3,4a,5,6,7,8,9,9a-decahydrocyclopenta[f]chromen-7-yl]-4a-methyl-2,3,4,7,8,8a-hexahydrochromen-2-yl]propan-2-yloxy]-4,5-dihydroxy-6-(methoxymethyl)oxan-3-yl]acetamide

Structure

SMILES: COC[C@H]1O[C@H](OC(C)(C)[C@@H]2CC[C@@]3(C)C=C([C@H]4CC[C@@H]5[C@]4(C)C[C@@H](O)[C@@H]4O[C@H](C(C)(C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@@]54C)CC[C@@H]3O2)[C@H](N=C(C)O)[C@@H](O)[C@@H]1O

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InChI: InChI=1S/C45H75NO15/c1-22(48)46-32-35(52)34(51)27(21-55-9)57-39(32)60-41(2,3)29-14-16-43(6)18-23(10-13-31(43)58-29)24-11-12-28-44(7)17-15-30(59-38(44)25(49)19-45(24,28)8)42(4,5)61-40-37(54)36(53)33(50)26(20-47)56-40/h18,24-40,47,49-54H,10-17,19-21H2,1-9H3,(H,46,48)/t24-,25-,26-,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37+,38+,39-,40+,43+,44+,45-/m1/s1

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InChIKey: VIDAGDZNMBISJJ-KRADLTOQSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Malbranchea filamentosa Malbranchea Malbrancheaceae Onygenales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 870.0870000000003

TPSA？: 238.81

MolLogP？: 2.4399000000000046

Number of H-Donors: 8

Number of H-Acceptors: 15

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information