Glycoside
GD124764
Name:
Suspensolide AFormula:
C25H38O14Smiles:
CC(=O)OCC1(O)C(OC(C)=O)CC2C(COC3OC(CO)C(O)C(O)C3O)=COC(OC(=O)CC(C)C)C21Aglycone:
CC(=O)OCC1(O)C(OC(C)=O)CC2C(CO)=COC(OC(=O)CC(C)C)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 10 |
| MolWt: | 562.57 | Num_heavy_atoms: | 39 |
| TPSA: | 207.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD44186
Formula: C19H28O9
Smiles:
CC(=O)OCC1(O)C(OC(C)=O)CC2C(CO)=COC(OC(=O)CC(C)C)C21| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 400.42 | Num_heavy_atoms: | 28 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
