Glycoside
GD130870
Name:
Aquilegioside FFormula:
C43H70O16Smiles:
COC12CC3(C)C4CCC5C(C)(C)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC3(C)C1C(C)C(CC(=O)C(C)(O)CO)O2Aglycone:
COC12CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC3(C)C1C(C)C(CC(=O)C(C)(O)CO)O2Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.98 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 11 |
| MolWt: | 843.02 | Num_heavy_atoms: | 59 |
| TPSA: | 254.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD46026
Formula: C31H50O6
Smiles:
COC12CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC3(C)C1C(C)C(CC(=O)C(C)(O)CO)O2| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 518.74 | Num_heavy_atoms: | 37 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
