Glycoside
GD035007
Name:
NoneFormula:
C25H28O6N2Smiles:
CN(C)C(=O)c1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OC[C@H](O)[C@H](O)CO)ccc1C3=OAglycone:
CN(C)C(=O)c1ccc2c3c([nH]c2c1)C(C)(C)c1ccccc1C3=OSugarmoiety:
OCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 452.51 | Num_heavy_atoms: | 33 |
| TPSA: | 123.09 | NumAromaticRings: | 3 |
Unique Aglycone
AD22185
Formula: C21H20O2N2
Smiles:
CN(C)C(=O)c1ccc2c3c([nH]c2c1)C(C)(C)c1ccccc1C3=O| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 332.4 | Num_heavy_atoms: | 25 |
| TPSA: | 53.17 | NumAromaticRings: | 3 |
