Glycoside
GD029782
Name:
NoneFormula:
C23H28O6N6Smiles:
COCCCNC(=O)CC[C@@H]1O[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCC(=O)NCCCOC.O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 10 |
| MolWt: | 484.51 | Num_heavy_atoms: | 35 |
| TPSA: | 160.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD00783
Formula: C12H8ON5
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.23 | Num_heavy_atoms: | 18 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
AD19333
Formula: C7H15O2N
Smiles:
CCC(=O)NCCCOC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 145.2 | Num_heavy_atoms: | 10 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
