Glycoside
GD133900
Name:
2-({[3-hydroxy-4-(hydroxymethyl)-4-methyloxolan-2-yl]oxy}methyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triolFormula:
C21H32O12Smiles:
COc1cc(OC2OC(COC3OCC(C)(CO)C3O)C(O)C(O)C2O)cc(OC)c1OCAglycone:
COc1cc(O)cc(OC)c1OCSugarmoiety:
CC1(CO)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 476.48 | Num_heavy_atoms: | 33 |
| TPSA: | 165.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD07763
Formula: C9H12O4
Smiles:
COc1cc(O)cc(OC)c1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 47.92 | NumAromaticRings: | 1 |
