Glycoside

GD134354
Name:
4-methoxy-2,6,14,17-tetramethyl-3-oxo-14-(5-oxooxolane-3-carbonyl)-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,â·.0¹³,¹â·]heptadec-4-en-16-yl 2-methylbut-2-enoateFormula:
C37H52O14Smiles:
CC=C(C)C(=O)OC1CC(C)(C(=O)C2COC(=O)C2)C2CC(OC3OC(CO)C(O)C(O)C3O)OC3CC4C(C)C=C(OC)C(=O)C4(C)C1C32CAglycone:
CC=C(C)C(=O)OC1CC(C)(C(=O)C2COC(=O)C2)C2CC(O)OC3CC4C(C)C=C(OC)C(=O)C4(C)C1C32CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 6 |
HBD: | 4 | FractionCSP3: | 0.78 |
AlogP: | 1.35 | Num_rotatable_bonds: | 8 |
MolWt: | 720.81 | Num_heavy_atoms: | 51 |
TPSA: | 204.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD54359
Formula: C31H42O9
Smiles:
CC=C(C)C(=O)OC1CC(C)(C(=O)C2COC(=O)C2)C2CC(O)OC3CC4C(C)C=C(OC)C(=O)C4(C)C1C32CHBA: | 9 | RingCount: | 5 |
HBD: | 1 | FractionCSP3: | 0.74 |
AlogP: | 3.53 | Num_rotatable_bonds: | 5 |
MolWt: | 558.67 | Num_heavy_atoms: | 40 |
TPSA: | 125.43 | NumAromaticRings: | 0 |