Glycoside
GD153738
Name:
phenyl 1-(3-hydroxy-5-methoxyoxolan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-5-carboxylateFormula:
C34H44O6Smiles:
COC1CC(O)(C2CC=C3C2(C)CCC2C3(C)CC(C(=O)Oc3ccccc3)C3C(C)(C)C(=O)C=CC32C)CO1Aglycone:
CC12CCC=C1C1(C)CC(C(=O)Oc3ccccc3)C3C(C)(C)C(=O)C=CC3(C)C1CC2Sugarmoiety:
COC1CC(O)(O)CO1Other Identifiers
Properties
| HBA: | 6 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.65 |
| AlogP: | 5.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 548.72 | Num_heavy_atoms: | 40 |
| TPSA: | 82.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD61117
Formula: C29H36O3
Smiles:
CC12CCC=C1C1(C)CC(C(=O)Oc3ccccc3)C3C(C)(C)C(=O)C=CC3(C)C1CC2| HBA: | 3 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.59 |
| AlogP: | 6.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 432.6 | Num_heavy_atoms: | 32 |
| TPSA: | 43.37 | NumAromaticRings: | 1 |
