Glycoside

GD116216
Name:
1-(1-hydroxy-6-methoxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)-3-phenylpropan-1-oneFormula:
C27H30O9Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(O)c(C(=O)CCc3ccccc3)c(C)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(=O)CCc3ccccc3)c(C)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 9 | RingCount: | 4 |
HBD: | 5 | FractionCSP3: | 0.37 |
AlogP: | 1.86 | Num_rotatable_bonds: | 8 |
MolWt: | 498.53 | Num_heavy_atoms: | 36 |
TPSA: | 145.91 | NumAromaticRings: | 3 |
Unique Aglycone
AD46110
Formula: C21H20O4
Smiles:
COc1cc(O)c2c(O)c(C(=O)CCc3ccccc3)c(C)cc2c1HBA: | 4 | RingCount: | 3 |
HBD: | 2 | FractionCSP3: | 0.19 |
AlogP: | 4.38 | Num_rotatable_bonds: | 5 |
MolWt: | 336.39 | Num_heavy_atoms: | 25 |
TPSA: | 66.76 | NumAromaticRings: | 3 |