Glycoside
GD145797
Name:
4-(1-hydroxy-6-methoxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)-4-oxobutanalFormula:
C22H26O10Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(O)c(C(=O)CCC=O)c(C)cc2c1Aglycone:
COc1cc(O)c2c(O)c(C(=O)CCC=O)c(C)cc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 450.44 | Num_heavy_atoms: | 32 |
| TPSA: | 162.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD58503
Formula: C16H16O5
Smiles:
COc1cc(O)c2c(O)c(C(=O)CCC=O)c(C)cc2c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.3 | Num_heavy_atoms: | 21 |
| TPSA: | 83.83 | NumAromaticRings: | 2 |
