Glycoside
GD020759
Name:
NoneFormula:
C19H24O4N6Smiles:
Nc1ncnc2c1ncn2C1O[C@H](C(=O)NC23CC4CC(C2)C(C4)C3)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=CNC12CC3CC(C1)C(C3)C2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 400.44 | Num_heavy_atoms: | 29 |
| TPSA: | 148.41 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD14281
Formula: C10H15ON
Smiles:
O=CNC12CC3CC(C1)C(C3)C2| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.24 | Num_heavy_atoms: | 12 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
