Glycoside
GD123861
Name:
2-({1-ethynyl-1,8-dihydroxy-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:
C26H34O8Smiles:
C#CC1(O)CCC2C3CCc4cc(OC5OC(CO)C(O)C(O)C5O)c(O)cc4C3CCC21CAglycone:
C#CC1(O)CCC2C3CCc4cc(O)c(O)cc4C3CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 474.55 | Num_heavy_atoms: | 34 |
| TPSA: | 139.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD50009
Formula: C20H24O3
Smiles:
C#CC1(O)CCC2C3CCc4cc(O)c(O)cc4C3CCC21C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 312.41 | Num_heavy_atoms: | 23 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
