Glycoside
GD034243
Name:
NoneFormula:
C26H33O6N7Smiles:
O=C(CC[C@@H]1O[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](O)[C@H]1O)NCCCN1CCOCC1Aglycone:
CCC(=O)NCCCN1CCOCC1.O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 539.59 | Num_heavy_atoms: | 39 |
| TPSA: | 163.96 | 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 |
AD21789
Formula: C10H20O2N2
Smiles:
CCC(=O)NCCCN1CCOCC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 200.28 | Num_heavy_atoms: | 14 |
| TPSA: | 41.57 | NumAromaticRings: | 0 |
