Glycoside
GD084616
Name:
NoneFormula:
C17H24O6N6Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)O[C@H](C)CC)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCC(C)OC(=O)Nc1ncnc2c1N=C[N]2.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 408.42 | Num_heavy_atoms: | 29 |
| TPSA: | 160.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD37815
Formula: C10H12O2N5
Smiles:
CCC(C)OC(=O)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 234.24 | Num_heavy_atoms: | 17 |
| TPSA: | 90.57 | NumAromaticRings: | 1 |
