Glycoside
GD014535
Name:
NoneFormula:
C20H28O7N2Smiles:
COc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)n[nH]c2C(C)C)cc1Aglycone:
COc1ccc(Cc2c(O)n[nH]c2C(C)C)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 408.45 | Num_heavy_atoms: | 29 |
| TPSA: | 137.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD10673
Formula: C14H18O2N2
Smiles:
COc1ccc(Cc2c(O)n[nH]c2C(C)C)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 246.31 | Num_heavy_atoms: | 18 |
| TPSA: | 58.14 | NumAromaticRings: | 2 |
