Glycoside
GD082122
Name:
NoneFormula:
C20H28O8N2Smiles:
COc1cccc(C(=O)N2CCC(C(=O)N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)CC2)c1Aglycone:
COc1cccc(C(=O)N2CCC(C(N)=O)CC2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 148.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD36875
Formula: C14H18O3N2
Smiles:
COc1cccc(C(=O)N2CCC(C(N)=O)CC2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 262.31 | Num_heavy_atoms: | 19 |
| TPSA: | 72.63 | NumAromaticRings: | 1 |
