Glycoside
GD072840
Name:
NoneFormula:
C18H24O6N4Smiles:
O=C(C(=O)N1CCN(Cc2c[nH]c3ncccc23)CC1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
c1cnc2[nH]cc(CN3CCNCC3)c2c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 392.41 | Num_heavy_atoms: | 28 |
| TPSA: | 150.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD33893
Formula: C12H16N4
Smiles:
c1cnc2[nH]cc(CN3CCNCC3)c2c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 216.29 | Num_heavy_atoms: | 16 |
| TPSA: | 43.95 | NumAromaticRings: | 2 |
