Glycoside
GD120651
Name:
10-P-Trans-Coumaroyl-1S-DihydromonotropeinFormula:
C25H30O13Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1(O)CCC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
O=C(C=Cc1ccc(O)cc1)OCC1(O)CCC2C(C(=O)O)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 538.5 | Num_heavy_atoms: | 38 |
| TPSA: | 212.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD48495
Formula: C19H20O8
Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1(O)CCC2C(C(=O)O)=COC(O)C21| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.36 | Num_heavy_atoms: | 27 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
