Structure Database (LMSD)
Common Name
FR901465
Systematic Name
(2S,3Z)-5-{[(2R,3R,5S,6S)-2,5-dimethyl-6-{(2E,4E)-3-methyl-5-[(3R,4R,5R,7S,8R)-4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]penta-2,4-dien-1-yl}tetrahydro-2H-pyran-3-yl]amino}-5-oxopent-3-en-2-yl acetate
Synonyms
LM ID
LMFA08020178
Formula
Exact Mass
Calculate m/z
523.278134
Sum Composition
Status
Active
3D model of FR901465
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
DQTXAXNYLWRTPB-NTVXLVODSA-N
InChi (Click to copy)
InChI=1S/C27H41NO9/c1-15(8-11-22-24(31)27(14-34-27)25(32)26(6,33)37-22)7-10-21-16(2)13-20(18(4)36-21)28-23(30)12-9-17(3)35-19(5)29/h7-9,11-12,16-18,20-22,24-25,31-33H,10,13-14H2,1-6H3,(H,28,30)/b11-8+,12-9-,15-7+/t16-,17-,18+,20+,21-,22+,24+,25-,26-,27+/m0/s1
SMILES (Click to copy)
C[C@]1(O)O[C@@H]([C@@H](O)[C@]2([C@H]1O)OC2)/C=C/C(/C)=C/C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\[C@@H](OC(C)=O)C)C[C@@H]1C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
37
Rings
3
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
515.49
Topological Polar Surface Area
151.22
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
10
logP
4.15
Molar Refractivity
139.22
Admin
Created at
-
Updated at
13th Sep 2021