Glycoside
GD081473
Name:
NoneFormula:
C18H24O8N4Smiles:
O=C(C(=O)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
O=C(Nc1cnccn1)C1COCC2CNCC21Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -3.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 424.41 | Num_heavy_atoms: | 30 |
| TPSA: | 182.41 | NumAromaticRings: | 1 |
Unique Aglycone
AD36686
Formula: C12H16O2N4
Smiles:
O=C(Nc1cnccn1)C1COCC2CNCC21| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 248.29 | Num_heavy_atoms: | 18 |
| TPSA: | 76.14 | NumAromaticRings: | 1 |
