Compound	Ginsenoside Rb1
NPACT-Id	NPACT00618
IUPAC	2-[[6-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms	-
PubChem Id	432524
Class	Saponin
In-vitro anticancer activity	1 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	GZYPWOGIYAIIPV-UHFFFAOYSA-N
InChi	1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)7
SMILES	O[C@H]1[C@H]2[C@]([C@]3([C@@H]([C@@]4([C@@H](CC3)C([C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)CO)CC4)(C)C)C)C1)C)(CC[C@@H]2[C@](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)(CCC=C(C)C)C)C
SMART	[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC([H])([H])[C@@]2([H])O[C@@]([H])(O[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]3([H])[C@@]5(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(O[C@]6([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]6([H])O[C@]6([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]6([H])O[H])[C@@](C([H])([H])[H])(C([H])([H])[H])[C@]5([H])C([H])([H])C([H])([H])[C@@]43C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
CAS No.	41753-43-9
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	C442759
	HIT	C0169
	NCI-60 GI₅₀ data	-
Suppliers	ABI Chem, ChemFrog, MP Biomedicals, Sigma-Aldrich,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

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