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Tested in BioAssays: All: 1   Inactive: 1
BioActivity Summary: This Compound   with Similar Compounds

Molecular Weight	1079.2685 [g/mol]
Molecular Formula	C53H90O22
XLogP3-AA	0.9
H-Bond Donor	14
H-Bond Acceptor	22
Rotatable Bond Count	16
Exact Mass	1078.592375
MonoIsotopic Mass	1078.592375
Topological Polar Surface Area	357
Heavy Atom Count	75
Formal Charge	0
Complexity	1950
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	29
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

IUPAC Name: 2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-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]oxyoxane-3,4,5-triol
Canonical SMILES: CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C
(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(O8)CO)O)O)O)O)O)C
InChI: InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,
75-47-43(67)39(63)37(61)29(72-47)22-68-45-41(65)36(60)28(21-56)69-45)24-
11-16-52(7)33(24)25(57)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,
52)6)73-48-44(40(64)35(59)27(20-55)71-48)74-46-42(66)38(62)34(58)26(19-
54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3
InChIKey: JDCPEKQWFDWQLI-UHFFFAOYSA-N

CID 100018   
Related Compounds:

Similar Compounds: 788 Links

Substances: 9 Links

Category: [for same structure substances]