Glycoside
GD118143
Name:
1-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-methoxyphenyl}propan-1-oneFormula:
C21H30O12Smiles:
CCC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2OC2OCC(O)(CO)C2O)c(OC)c1Aglycone:
CCC(=O)c1ccc(O)c(OC)c1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 474.46 | Num_heavy_atoms: | 33 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD29371
Formula: C10H12O3
Smiles:
CCC(=O)c1ccc(O)c(OC)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
