Glycoside
GD083275
Name:
NoneFormula:
C20H22O7N3Smiles:
O=C(C(=O)N1CC(c2[nH]c[n+]3cc(-c4ccoc4)ccc23)C1)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
c1cc(-c2ccc3c(C4CNC4)[nH]c[n+]3c2)co1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 416.41 | Num_heavy_atoms: | 30 |
| TPSA: | 151.33 | NumAromaticRings: | 3 |
Unique Aglycone
AD37192
Formula: C14H14ON3
Smiles:
c1cc(-c2ccc3c(C4CNC4)[nH]c[n+]3c2)co1| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.29 | Num_heavy_atoms: | 18 |
| TPSA: | 45.06 | NumAromaticRings: | 3 |
