Glycoside
GD153002
Name:
Periperoxide CFormula:
C69H110O25Smiles:
COC1=CC(C)OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CCC3(O)C(C)OC3CC4OCC5(CC(OC)C(OC6CC(OC)C(OC7CC(O)C(OC8CC(OC)C(OC9CC(OC)C(O)C(C)O9)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(C)OC(OC3C(O)CC(OC4C(C)OC(O)CC4OC)OC3C)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 12 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 6.53 | Num_rotatable_bonds: | 18 |
| MolWt: | 1339.61 | Num_heavy_atoms: | 94 |
| TPSA: | 271.59 | 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 |
