Glycoside
GD150345
Name:
6-methoxy-9b-methyl-7-(propan-2-yl)-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,3bH,4H,5H,9bH,10H,11H-phenanthro[1,2-c]furan-1-oneFormula:
C27H36O9Smiles:
COc1c(C(C)C)cc(OC2OC(CO)C(O)C(O)C2O)c2c1CCC1C3=C(CCC21C)C(=O)OC3Aglycone:
COc1c(C(C)C)cc(O)c2c1CCC1C3=C(CCC21C)C(=O)OC3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 504.58 | Num_heavy_atoms: | 36 |
| TPSA: | 134.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD60062
Formula: C21H26O4
Smiles:
COc1c(C(C)C)cc(O)c2c1CCC1C3=C(CCC21C)C(=O)OC3| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 342.44 | Num_heavy_atoms: | 25 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
