Glycoside
GD137610
Name:
7''-O-Beta-D-GlucopyranosylsessilifosideFormula:
C32H38O18Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(c3c(C)oc4cc(OC5OC(CO)C(O)C(O)C5O)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)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 710.64 | Num_heavy_atoms: | 50 |
| TPSA: | 284.73 | 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 |
