Glycoside
GD080814
Name:
NoneFormula:
C19H22O9N2Smiles:
CCn1cc(C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)c2cc3c(cc21)OCO3Aglycone:
CCn1cc(C(N)=O)c(=O)c2cc3c(cc21)OCO3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 422.39 | Num_heavy_atoms: | 30 |
| TPSA: | 159.71 | NumAromaticRings: | 2 |
Unique Aglycone
AD36481
Formula: C13H12O4N2
Smiles:
CCn1cc(C(N)=O)c(=O)c2cc3c(cc21)OCO3| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 260.25 | Num_heavy_atoms: | 19 |
| TPSA: | 83.55 | NumAromaticRings: | 2 |
