Glycoside
GD017866
Name:
NoneFormula:
C22H30O5N6Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC)nc(C#CC(O)C4CCCC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CCNc1nc(C#CC(O)C2CCCC2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 458.52 | Num_heavy_atoms: | 33 |
| TPSA: | 154.65 | 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 |
AD12700
Formula: C15H18ON5
Smiles:
CCNc1nc(C#CC(O)C2CCCC2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 284.34 | Num_heavy_atoms: | 21 |
| TPSA: | 84.5 | NumAromaticRings: | 1 |
