Glycoside
GD130386
Name:
6'-O-E-FeruloylmonotropeinFormula:
C26H30O14Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3OC=C(C(=O)O)C4C=CC(O)(CO)C34)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.O=C(O)C1=COC(O)C2C1C=CC2(O)COSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 566.51 | Num_heavy_atoms: | 40 |
| TPSA: | 221.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD50994
Formula: C10H12O6
Smiles:
O=C(O)C1=COC(O)C2C1C=CC2(O)CO| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.2 | Num_heavy_atoms: | 16 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
