Glycoside
GD130120
Name:
SessilifosideFormula:
C26H28O13Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(c3c(C)oc4cc(O)cc(O)c4c3=O)CC21Aglycone:
C=CC1C(O)OC=C2C(=O)OC(c3c(C)oc4cc(O)cc(O)c4c3=O)CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 548.5 | Num_heavy_atoms: | 39 |
| TPSA: | 205.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD52721
Formula: C20H18O8
Smiles:
C=CC1C(O)OC=C2C(=O)OC(c3c(C)oc4cc(O)cc(O)c4c3=O)CC21| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 386.36 | Num_heavy_atoms: | 28 |
| TPSA: | 126.43 | NumAromaticRings: | 2 |
