Glycoside
GD121349
Name:
methyl 4-methoxy-2-methyl-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]benzoateFormula:
C21H30O13Smiles:
COC(=O)c1c(C)cc(OC)cc1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1OAglycone:
COC(=O)c1c(C)cc(OC)cc1OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.57 | Num_rotatable_bonds: | 7 |
| MolWt: | 490.46 | Num_heavy_atoms: | 34 |
| TPSA: | 193.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD48838
Formula: C10H12O4
Smiles:
COC(=O)c1c(C)cc(OC)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
