Glycoside
GD025507
Name:
NoneFormula:
C28H27O6N3Smiles:
CC1(C)c2cc(OC[C@H](O)[C@H](O)CO)ccc2C(=O)c2c1[nH]c1cc(C(=O)Nc3ccccn3)ccc21Aglycone:
CC1(C)c2ccccc2C(=O)c2c1[nH]c1cc(C(=O)Nc3ccccn3)ccc21Sugarmoiety:
OCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 501.54 | Num_heavy_atoms: | 37 |
| TPSA: | 144.77 | NumAromaticRings: | 4 |
Unique Aglycone
AD16907
Formula: C24H19O2N3
Smiles:
CC1(C)c2ccccc2C(=O)c2c1[nH]c1cc(C(=O)Nc3ccccn3)ccc21| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 381.44 | Num_heavy_atoms: | 29 |
| TPSA: | 74.85 | NumAromaticRings: | 4 |
