Glycoside
GD149835
Name:
Locoracemoside BFormula:
C27H32O14Smiles:
COc1ccc(COC2OC(COC3OC(C(=O)O)C(O)C(O)C3O)C(O)C(OC(=O)c3ccccc3)C2O)cc1Aglycone:
COc1ccc(CO)cc1.O=C(O)c1ccccc1Sugarmoiety:
O=C(O)C1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 10 |
| MolWt: | 580.54 | Num_heavy_atoms: | 41 |
| TPSA: | 210.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00337
Formula: C8H10O2
Smiles:
COc1ccc(CO)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
