Glycoside
GD136599
Name:
Periperoxide AFormula:
C70H110O27Smiles:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3CC4OCC5(CC(OC)C(OC6CC(O)C(OC7CC(O)C(OC8CC(OC)C(OC9OC(C)C(O)C(OC)C9OC(C)=O)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(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1OC1OC(C)C(O)C(OC)C1OC(C)=OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 12 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 5.42 | Num_rotatable_bonds: | 18 |
| MolWt: | 1383.62 | Num_heavy_atoms: | 97 |
| TPSA: | 308.89 | 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 |
