Glycoside
GD079586
Name:
NoneFormula:
C18H24O6N5Smiles:
O=C(C(=O)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
c1ccc(NCc2cn3c(n2)C[NH2+]CC3)nc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -3.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 406.42 | Num_heavy_atoms: | 29 |
| TPSA: | 165.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD36372
Formula: C12H16N5
Smiles:
c1ccc(NCc2cn3c(n2)C[NH2+]CC3)nc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 230.29 | Num_heavy_atoms: | 17 |
| TPSA: | 59.35 | NumAromaticRings: | 2 |
