Glycoside
GD123126
Name:
Crenulatoside BFormula:
C29H48O11Smiles:
CC(=O)OC1C(O)C(C)OC(OCC2OC(OCC=C(C)CCC=C(C)CCC=C(C)C)C(O)C(O)C2O)C1OAglycone:
CC(C)=CCCC(C)=CCCC(C)=CCOSugarmoiety:
CC(=O)OC1C(O)C(C)OC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 13 |
| MolWt: | 572.69 | Num_heavy_atoms: | 40 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD45904
Formula: C15H26O
Smiles:
CC(C)=CCCC(C)=CCCC(C)=CCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 222.37 | Num_heavy_atoms: | 16 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
