Glycoside
GD033595
Name:
NoneFormula:
C21H24O8N2Smiles:
O=C(CN(C(=O)c1ccccc1)c1ccc(O)cc1)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OAglycone:
NC(=O)CN(C(=O)c1ccccc1)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.43 | Num_heavy_atoms: | 31 |
| TPSA: | 159.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD21430
Formula: C15H14O3N2
Smiles:
NC(=O)CN(C(=O)c1ccccc1)c1ccc(O)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 270.29 | Num_heavy_atoms: | 20 |
| TPSA: | 83.63 | NumAromaticRings: | 2 |
