solasodine 3-O-β-D-glucoside

Chemical Formula:

C₃₃H₅₃NO₇

Molecular Weight:

575.784 Daltons

Monoisotopic Mass:

575.3822030612 Daltons

SMILES:

CC1(CNC2(CC1)(C(C)C3([CH](O2)CC4(C(C)3CC[CH]5([CH]4CC=C7(C(C)5CCC(OC6(OC(CO)C(O)C(O)C(O)6))C7))))))

InChI:

1S/C33H53NO7/c1-17-7-12-33(34-15-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(38)28(37)27(36)25(16-35)40-30/h5,17-18,20-30,34-38H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23?,24+,25-,26?,27-,28+,29-,30+,31+,32+,33-/m1/s1

InChIKey:

XMLLJGHZPHTUKK-KJNRMUPVSA-N

Synonyms

solasodine 3-O-β-D-glucose
β-D-glucopyranoside, (3β,22α,25R)-spirosol-5-en-3-yl
solasod-5-ene
γ-solamargine
solasodine 3-O-β-D-glucopyranoside

Databases

MetaCyc: CPD-13081

PubChem (CID): 102515426 145865139

MetaNetX: MNXM21800