Glycoside
GD122028
Name:
Periplocoside DFormula:
C70H112O26Smiles:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3CC4OCC5(CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(OC8CC(OC)C(OC9OC(C)C(O)C(OC)C9O)C(C)O8)C(C)O7)C(C)O6)C(C)O5)OOC4C(C)O3)C2)C1=OAglycone:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3CC4OCC5(CC(OC)C(O)C(C)O5)OOC4C(C)O3)C2)C1=OSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1Other Identifiers
Properties
| HBA: | 26 | RingCount: | 12 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.16 | Num_rotatable_bonds: | 19 |
| MolWt: | 1369.64 | Num_heavy_atoms: | 96 |
| TPSA: | 280.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD48927
Formula: C42H64O13
Smiles:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3CC4OCC5(CC(OC)C(O)C(C)O5)OOC4C(C)O3)C2)C1=O| HBA: | 13 | RingCount: | 8 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 5.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 776.96 | Num_heavy_atoms: | 55 |
| TPSA: | 149.83 | NumAromaticRings: | 0 |
