Zingibroside R1

Category	Human immunodeficiency Virus (HIV)
CAS	80930-74-1
Description	Zingibroside R1 is a triterpenoid showing anti-tumor, anti-angiogenic and anti-HIV-1 activity.

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Synonyms	Ginsenoside Z-R1; 28-O-deglucosyl-chikusetsusaponin V
Molecular Weight	795
Molecular Formula	C42H66O14
Canonical SMILES	CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)O)C
InChI	InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-32(29(47)28(46)31(55-35)33(49)50)56-34-30(48)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22+,23-,24+,25-,26+,27-,28-,29-,30+,31-,32+,34-,35+,39-,40+,41+,42-/m0/s1
InChIKey	WJQOMUVKRDJBGZ-COUNGWPASA-N
Purity	0.98
Density	1.37±0.1 g/cm3
Solubility	In vitro: 10 mM in DMSO
Appearance	Powder
Storage	4°C, protect from light * In solvent : -80°C, 6 months -20°C, 1 month (protect from light)
Complexity	1560
Exact Mass	794.44525677
PSA	232.90000
Target	IC50: 91.3 μM (2-DG uptake)
XLogP3-AA	4.5