Glycoside
GD140404
Name:
3-[4-hydroxy-3-(propan-2-yl)phenyl]-8-(hydroxymethyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C25H28O10Smiles:
CC(C)c1cc(-c2coc3c(CO)c(OC4OC(CO)C(O)C(O)C4O)ccc3c2=O)ccc1OAglycone:
CC(C)c1cc(-c2coc3c(CO)c(O)ccc3c2=O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 488.49 | Num_heavy_atoms: | 35 |
| TPSA: | 170.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD56616
Formula: C19H18O5
Smiles:
CC(C)c1cc(-c2coc3c(CO)c(O)ccc3c2=O)ccc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 326.35 | Num_heavy_atoms: | 24 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
