ziyuglycoside I

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 7
Total Number of Articles : 4
PubChem 146158695
Molecular Formula

C41H66O13

SMILES

CC1CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC(C5(C)C)OC6C(C(C(CO6)O)O)O)C)C)C2[C@]1(C)O)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O

InChI

InChI=1S/C41H66O13/c1-20-10-15-41(35(49)54-34-31(48)29(46)28(45)23(18-42)52-34)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-33-30(47)27(44)22(43)19-51-33/h8,20,22-34,42-48,50H,9-19H2,1-7H3/t20?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,37-,38+,39+,40+,41-/m0/s1

synonyms
  • Ziyuglycoside I
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Properties
Property Value
MW 767.0 g/mol
HBD 8
HBA 13
Rotatable Bond Count 6
Exact Mass 766.45034216 g/mol
Monoisotopic Mass 766.45034216 g/mol
Heavy Atom Count 54
Isotope Atom Count 0
Atom Stereo Count 19
Covalent Unit Count 1
Complexity 1470
xlogp 2.6
Topological Polar Surface Area 216