methyl (4S,5R,6S)-4-{[(1R)-2-acetyl-8-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl}-5-ethenyl-6-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4H-pyran-3-carboxylate
AlkaPlorer ID: AK074288
Synonym: None
IUPAC Name: methyl (2S,3R,4S)-4-[[(1R)-2-acetyl-8-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethenyl-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
Structure
SMILES: C=C[C@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1C2=C(O)C(OC)=CC=C2CCN1C(C)=O
InChI: InChI=1S/C28H37NO12/c1-5-15-16(10-18-21-14(8-9-29(18)13(2)31)6-7-19(37-3)22(21)32)17(26(36)38-4)12-39-27(15)41-28-25(35)24(34)23(33)20(11-30)40-28/h5-7,12,15-16,18,20,23-25,27-28,30,32-35H,1,8-11H2,2-4H3/t15-,16+,18-,20+,23-,24-,25+,27+,28+/m1/s1
InChIKey: QMUJECLRVRSIQX-HHAOCRBPSA-N
Source
Properties Information
Molecule Weight: 579.5990000000003
TPSA？: 184.68
MolLogP？: -0.1152999999999995
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 4
Activities Information
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