Glycoside
GD125501
Name:
5-hydroxy-2-propyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C18H22O9Smiles:
CCCc1cc(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3O)cc2o1Aglycone:
CCCc1cc(=O)c2c(O)cc(O)cc2o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 382.37 | Num_heavy_atoms: | 27 |
| TPSA: | 149.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD50756
Formula: C12H12O4
Smiles:
CCCc1cc(=O)c2c(O)cc(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 220.22 | Num_heavy_atoms: | 16 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
