Glycoside

GD143168
Name:
3-(4'b,8',8',10'a-tetramethyl-5-oxo-7'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-2'H-spiro[oxolane-3,1'-phenanthren]-2'-yl)-1-(4-methyl-5-oxo-2,5-dihydrofuran-2-yl)butan-2-yl acetateFormula:
C38H58O12Smiles:
CC(=O)OC(CC1C=C(C)C(=O)O1)C(C)C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C12COC(=O)C2Aglycone:
CC(=O)OC(CC1C=C(C)C(=O)O1)C(C)C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C12COC(=O)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 6 |
HBD: | 4 | FractionCSP3: | 0.87 |
AlogP: | 3.2 | Num_rotatable_bonds: | 8 |
MolWt: | 706.87 | Num_heavy_atoms: | 50 |
TPSA: | 178.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD55708
Formula: C32H48O7
Smiles:
CC(=O)OC(CC1C=C(C)C(=O)O1)C(C)C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C12COC(=O)C2HBA: | 7 | RingCount: | 5 |
HBD: | 1 | FractionCSP3: | 0.84 |
AlogP: | 5.38 | Num_rotatable_bonds: | 5 |
MolWt: | 544.73 | Num_heavy_atoms: | 39 |
TPSA: | 99.13 | NumAromaticRings: | 0 |