Glycoside
GD012523
Name:
NoneFormula:
C15H25O5N7Smiles:
CN(CCCCON)C[C@@H]1O[C@H](n2c(O)nc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(C)CCCCON.Nc1ncnc2c1N=C(O)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 383.41 | Num_heavy_atoms: | 27 |
| TPSA: | 178.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD03708
Formula: C6H16ON2
Smiles:
CN(C)CCCCON| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 132.21 | Num_heavy_atoms: | 9 |
| TPSA: | 38.49 | NumAromaticRings: | 0 |
AD09433
Formula: C5H4ON5
Smiles:
Nc1ncnc2c1N=C(O)[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
