Structure database (LMSD)

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LM IDLMST01070019
Common NameTrillfurostanoside G
Systematic Name26-O-β-D-glucopyranosyl-(25R)-furostan-3β,5α,6β,17α,22α,26-hexahydroxy-3-O-
α-l-rhamnopyranosyl-(1-4)-α-l-rhamnopyranosyl-(1-4)-[α-l-rhamnopyranosyl-(1-2)
]-β-D-glucopyranoside
Synonyms3-O-(Rhaa1-4Rhaa1-4(Rhaa1-2)Glcb)-(25R)-furosta-3β,5α,6β,17α,22α,26-hexol
Exact Mass
1244.6037 (neutral)    Calculate m/z:
FormulaC57H96O29
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassFurostanols and derivatives [ST0107]
PubChem CID-
InChIKeyUGOIXOPVIZAGKG-WQZKAANRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C57H96O29/c1-20(19-76-48-40(68)38(66)35(63)29(17-58)81-48)8-13-56(74)24(5)57(75)32(86-56)15-28-26-14-31(60)55(73)16-25(9-11-53(55,6)27(26)10-12-54(28,57)7)80-52-47(85-50-42(70)37(65)34(62)22(3)78-50)44(72)46(30(18-59)82-52)84-51-43(71)39(67)45(23(4)79-51)83-49-41(69)36(64)33(61)21(2)77-49/h20-52,58-75H,8-19H2,1-7H3/t20-,21+,22+,23+,24-,25+,26-,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40-,41-,42-,43-,44+,45+,46-,47-,48-,49+,50+,51+,52-,53-,54+,55+,56-,57-/m1/s1
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SMILES
[C@]12(C[C@@H](O)[C@@]3(O)C[C@@H](O[C@H]4[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@H](C)O5)[C@@H](CO)O4)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]3(O)[C@@H]([C@@](O)(CC[C@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C)O[C@H]3C[C@@]21[H])C)[H]
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StatusActive
ReferencesFurostanol Saponins from Trillium tschonoskii Promote the Expansion of Human Cord Blood Hematopoietic Stem and Progenitor Cells
J Nat Prod. 2020
DOI: 10.1021/acs.jnatprod.9b01268
PMID: 32870000
Calculated physicochemical properties (?):
 Heavy Atoms86Rings10Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
1125.97Topological Polar
Surface Area
478.09Hydrogen
Bond Donors
18Hydrogen
Bond Acceptors
29
 logP3.89Molar
Refractivity
301.66