Glycoside
GD140062
Name:
20-Hydroxy-1-Oxowitha-2,5,24-Trienolide; (20R,22S)-Form, 20-O-β-D-GlucopyranosideFormula:
C34H48O9Smiles:
CC1=C(C)C(=O)OC(C(C)(OC2OC(CO)C(O)C(O)C2O)C2CCC3C4CC=C5CC=CC(=O)C5(C)C4CCC32C)C1Aglycone:
CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4CC=C5CC=CC(=O)C5(C)C4CCC32C)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 600.75 | Num_heavy_atoms: | 43 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD56474
Formula: C28H38O4
Smiles:
CC1=C(C)C(=O)OC(C(C)(O)C2CCC3C4CC=C5CC=CC(=O)C5(C)C4CCC32C)C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 5.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 438.61 | Num_heavy_atoms: | 32 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
