Glycoside
GD118866
Name:
1-[2-hydroxy-3,5-dimethyl-4,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phenyl]-3-methylbutan-1-oneFormula:
C25H38O14Smiles:
Cc1c(O)c(C(=O)CC(C)C)c(OC2OC(CO)C(O)C(O)C2O)c(C)c1OC1OC(CO)C(O)C(O)C1OAglycone:
Cc1c(O)c(C)c(O)c(C(=O)CC(C)C)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.72 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 562.57 | Num_heavy_atoms: | 39 |
| TPSA: | 236.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD47564
Formula: C13H18O4
Smiles:
Cc1c(O)c(C)c(O)c(C(=O)CC(C)C)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 238.28 | Num_heavy_atoms: | 17 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
