Glycoside
GD141255
Name:
Mirabijalone CFormula:
C24H26O12Smiles:
COc1cc2oc(CO)c(-c3cccc(OC4OC(CO)C(O)C(O)C4O)c3O)c(=O)c2c(O)c1CAglycone:
COc1cc2oc(CO)c(-c3cccc(O)c3O)c(=O)c2c(O)c1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 506.46 | Num_heavy_atoms: | 36 |
| TPSA: | 199.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD48447
Formula: C18H16O7
Smiles:
COc1cc2oc(CO)c(-c3cccc(O)c3O)c(=O)c2c(O)c1C| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
