Glycoside
GD116419
Name:
1-{2,4-dihydroxy-3,5-dimethyl-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}-2-methylbutan-1-oneFormula:
C25H38O13Smiles:
CCC(C)C(=O)c1c(O)c(C)c(O)c(C)c1OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CCC(C)C(=O)c1c(O)c(C)c(O)c(C)c1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.72 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 546.57 | Num_heavy_atoms: | 38 |
| TPSA: | 215.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD46224
Formula: C13H18O4
Smiles:
CCC(C)C(=O)c1c(O)c(C)c(O)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 |
