Glycoside
GD117028
Name:
Medicarpin 3-O-Glucoside-6'-MalonateFormula:
C25H26O12Smiles:
COc1ccc2c(c1)OC1c3ccc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3OCC21Aglycone:
COC(=O)CC(=O)O.COc1ccc2c(c1)OC1c3ccc(O)cc3OCC21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 518.47 | Num_heavy_atoms: | 37 |
| TPSA: | 170.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD04045
Formula: C16H14O4
Smiles:
COc1ccc2c(c1)OC1c3ccc(O)cc3OCC21| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.28 | Num_heavy_atoms: | 20 |
| TPSA: | 47.92 | NumAromaticRings: | 2 |
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
