Glycoside
GD135933
Name:
Paniculatumoside AFormula:
C28H40O10Smiles:
COC1CC(OC2CCC3(C)C(=CC(O)C4C(=O)OC5COC6(C)OC(O)C(=CCC43)C56)C2)OC(C)C1OAglycone:
CC12OCC3OC(=O)C4C(O)C=C5CC(O)CCC5(C)C4CC=C(C(O)O1)C32Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 536.62 | Num_heavy_atoms: | 38 |
| TPSA: | 133.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD54951
Formula: C21H28O7
Smiles:
CC12OCC3OC(=O)C4C(O)C=C5CC(O)CCC5(C)C4CC=C(C(O)O1)C32| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 0 |
| MolWt: | 392.45 | Num_heavy_atoms: | 28 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
