(2R,3S)-6,8-bis[(1R,4R,4aR,7S,7aR)-2,4,7-trimethyl-octahydrocyclopenta[c]pyridin-1-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
AlkaPlorer ID: AK224009
Synonym: None
IUPAC Name: (2R,3S)-6,8-bis[(1R,4R,4aR,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-1-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Structure
SMILES: C[C@H]1CN(C)[C@@H](C2=C(O)C3=C(O[C@H](C4=CC=C(O)C(O)=C4)[C@@H](O)C3)C([C@H]3[C@H]4[C@H](CC[C@@H]4C)[C@@H](C)CN3C)=C2O)[C@H]2[C@@H]1CC[C@@H]2C
InChI: InChI=1S/C37H52N2O6/c1-17-7-10-22-19(3)15-38(5)32(28(17)22)30-34(43)24-14-27(42)36(21-9-12-25(40)26(41)13-21)45-37(24)31(35(30)44)33-29-18(2)8-11-23(29)20(4)16-39(33)6/h9,12-13,17-20,22-23,27-29,32-33,36,40-44H,7-8,10-11,14-16H2,1-6H3/t17-,18-,19-,20-,22+,23+,27-,28+,29+,32+,33+,36+/m0/s1
InChIKey: DSKQOOJRLGQDOK-AFCSJWRJSA-N
Source
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Properties Information
Molecule Weight: 620.8310000000002
TPSA？: 116.86
MolLogP？: 6.115900000000008
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 7
Activities Information
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