Glycoside
GD150604
Name:
Thesinine-4'-O-Beta-D-GlucopyranosideFormula:
C23H31O8NSmiles:
O=C(C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)OCC1CCN2CCCC12Aglycone:
O=C(C=Cc1ccc(O)cc1)OCC1CCN2CCCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 449.5 | Num_heavy_atoms: | 32 |
| TPSA: | 128.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD55613
Formula: C17H21O3N
Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1CCN2CCCC12| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 287.36 | Num_heavy_atoms: | 21 |
| TPSA: | 49.77 | NumAromaticRings: | 1 |
