Glycoside
GD005562
Name:
NoneFormula:
C21H20O9N2Smiles:
O=C1NC(=O)C(c2ccccc2)(c2ccc(OC3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)cc2)N1Aglycone:
O=C1NC(=O)C(c2ccccc2)(c2ccc(O)cc2)N1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.4 | Num_heavy_atoms: | 32 |
| TPSA: | 174.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD04711
Formula: C15H12O3N2
Smiles:
O=C1NC(=O)C(c2ccccc2)(c2ccc(O)cc2)N1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 78.43 | NumAromaticRings: | 2 |
