Glycoside
GD107090
Name:
(-)-Maackiain-3-O-Glucosyl-6''-O-MalonateFormula:
C25H24O13Smiles:
O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)OC[C@H]2c4cc5c(cc4O[C@@H]32)OCO5)[C@H](O)[C@@H](O)[C@@H]1OAglycone:
COC(=O)CC(=O)O.Oc1ccc2c(c1)OCC1c3cc4c(cc3OC21)OCO4Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 532.45 | Num_heavy_atoms: | 38 |
| TPSA: | 179.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD01872
Formula: C16H12O5
Smiles:
Oc1ccc2c(c1)OCC1c3cc4c(cc3OC21)OCO4| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 0 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 57.15 | 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 |
