(hexahydro-1H-pyrrolizin-1-yl)methyl 4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-bis(3-methylbut-2-en-1-yl)benzoate
AlkaPlorer ID: AK257204
Synonym: None
IUPAC Name: [(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-bis(3-methylbut-2-enyl)benzoate
Structure
SMILES: CC(C)=CCC1=C(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)C(CC=C(C)C)=CC(C(=O)OC[C@H]2CCN3CCC[C@@H]23)=C1
InChI: InChI=1S/C37H55NO13/c1-19(2)7-9-21-14-24(35(46)47-18-23-11-13-38-12-5-6-25(23)38)15-22(10-8-20(3)4)33(21)50-37-32(45)30(43)34(27(17-40)49-37)51-36-31(44)29(42)28(41)26(16-39)48-36/h7-8,14-15,23,25-32,34,36-37,39-45H,5-6,9-13,16-18H2,1-4H3/t23-,25+,26-,27-,28-,29+,30-,31-,32-,34-,36+,37+/m1/s1
InChIKey: WSPWBLLZYCCEBQ-BDWJBMQISA-N
Source
Properties Information
Molecule Weight: 721.8409999999998
TPSA？: 208.07
MolLogP？: 0.3480000000000034
Number of H-Donors: 7
Number of H-Acceptors: 14
RingCount: 5
Activities Information
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