Glycoside
GD095177
Name:
NoneFormula:
C22H28O7N4Smiles:
O=C(C(=O)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
c1cncc(OCc2nn(CC3CC3)c3c2CNCC3)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 10 |
| MolWt: | 460.49 | Num_heavy_atoms: | 33 |
| TPSA: | 158.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD40631
Formula: C16H20ON4
Smiles:
c1cncc(OCc2nn(CC3CC3)c3c2CNCC3)c1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 284.36 | Num_heavy_atoms: | 21 |
| TPSA: | 51.97 | NumAromaticRings: | 2 |
