Glycoside
GD144232
Name:
Aloesinol; (2'S)-Form, 7-Me EtherFormula:
C20H26O9Smiles:
COc1cc(C)c2c(=O)cc(CC(C)O)oc2c1C1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C)c2c(=O)cc(CC(C)O)oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 410.42 | Num_heavy_atoms: | 29 |
| TPSA: | 149.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD17365
Formula: C14H16O4
Smiles:
COc1cc(C)c2c(=O)cc(CC(C)O)oc2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 248.28 | Num_heavy_atoms: | 18 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
