Demissidine; O-[β-D-Glucopyranosyl-(1→2)-[β-D-xylopyranosyl-(1→3)]-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside]
AlkaPlorer ID: AK294760
Synonym: Demissine
IUPAC Name: 2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-yl)oxy]oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Structure
SMILES: CC1CCC2C(C)C3C(CC4C5CCC6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8OC8OC(CO)C(O)C(O)C8O)C(O)C7O)CCC6(C)C5CCC43C)N2C1
InChI: InChI=1S/C50H83NO20/c1-20-5-8-27-21(2)33-28(51(27)15-20)14-26-24-7-6-22-13-23(9-11-49(22,3)25(24)10-12-50(26,33)4)65-46-41(63)38(60)42(32(18-54)68-46)69-48-44(71-47-40(62)37(59)35(57)30(16-52)66-47)43(36(58)31(17-53)67-48)70-45-39(61)34(56)29(55)19-64-45/h20-48,52-63H,5-19H2,1-4H3
InChIKey: KWRYHKRVKRBBBU-UHFFFAOYSA-N
Reference
Über Demissin, ein Alkaloidglykosid aus den Blättern von Solanum demissum
PubChem CID: 4486606
CAS: 6077-69-6
LOTUS: LTS0185872
COCONUT: CNP0147528.4
Source
Properties Information
Molecule Weight: 1018.2010000000002
TPSA？: 319.84
MolLogP？: -2.329199999999984
Number of H-Donors: 12
Number of H-Acceptors: 21
RingCount: 10
Activities Information
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