Glycoside
GD065107
Name:
NoneFormula:
C15H22O8N2Smiles:
COCCn1cc(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1=OAglycone:
COCCn1cc(C(N)=O)ccc1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -2.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 358.35 | Num_heavy_atoms: | 25 |
| TPSA: | 150.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD31310
Formula: C9H12O3N2
Smiles:
COCCn1cc(C(N)=O)ccc1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 196.21 | Num_heavy_atoms: | 14 |
| TPSA: | 74.32 | NumAromaticRings: | 1 |
