Glycoside
GD029016
Name:
NoneFormula:
C24H28O6N6Smiles:
O=C(CC[C@@H]1O[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](O)[C@H]1O)NCC1CCCO1Aglycone:
CCC(=O)NCC1CCCO1.O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 496.52 | Num_heavy_atoms: | 36 |
| 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 |
AD18910
Formula: C8H15O2N
Smiles:
CCC(=O)NCC1CCCO1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 157.21 | Num_heavy_atoms: | 11 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
