Glycoside
GD127056
Name:
Aquastatin CFormula:
C29H48O9Smiles:
CCCCCCCCCCCCCCCc1cc(OC2OC(CO)C(O)C(O)C2O)cc(O)c1C(=O)OCAglycone:
CCCCCCCCCCCCCCCc1cc(O)cc(O)c1C(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 18 |
| MolWt: | 540.69 | Num_heavy_atoms: | 38 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD51432
Formula: C23H38O4
Smiles:
CCCCCCCCCCCCCCCc1cc(O)cc(O)c1C(=O)OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 6.52 | Num_rotatable_bonds: | 15 |
| MolWt: | 378.55 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
