Glycoside
GD140590
Name:
2-({1-ethynyl-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H34O7Smiles:
C#CC1(O)CCC2C3CCc4cc(OC5OC(CO)C(O)C(O)C5O)ccc4C3CCC21CAglycone:
C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 458.55 | Num_heavy_atoms: | 33 |
| TPSA: | 119.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD02707
Formula: C20H24O2
Smiles:
C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 3.61 | Num_rotatable_bonds: | 0 |
| MolWt: | 296.41 | Num_heavy_atoms: | 22 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
