Glycoside
GD097687
Name:
NoneFormula:
C24H27O7N3Smiles:
O=C(C(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCN(c3cccnc3)C2=O)C1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
O=C1N(c2cccnc2)CCC12CNCC2c1ccccc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 469.49 | Num_heavy_atoms: | 34 |
| TPSA: | 151.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD41589
Formula: C18H19ON3
Smiles:
O=C1N(c2cccnc2)CCC12CNCC2c1ccccc1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 293.37 | Num_heavy_atoms: | 22 |
| TPSA: | 45.23 | NumAromaticRings: | 2 |
