Glycoside
GD074602
Name:
NoneFormula:
C18H24O8N2Smiles:
COc1cccc(N2C[C@H](C(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)CC2=O)c1Aglycone:
COc1cccc(N2CC(C(N)=O)CC2=O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 396.4 | Num_heavy_atoms: | 28 |
| TPSA: | 148.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD34491
Formula: C12H14O3N2
Smiles:
COc1cccc(N2CC(C(N)=O)CC2=O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 234.25 | Num_heavy_atoms: | 17 |
| TPSA: | 72.63 | NumAromaticRings: | 1 |
