Glycoside
GD019701
Name:
NoneFormula:
C21H28O6N6Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(C#CCCOC4CCCCO4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(C#CCCOC2CCCCO2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 460.49 | Num_heavy_atoms: | 33 |
| TPSA: | 166.87 | 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 |
AD13719
Formula: C14H16O2N5
Smiles:
Nc1nc(C#CCCOC2CCCCO2)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.31 | Num_heavy_atoms: | 21 |
| TPSA: | 96.72 | NumAromaticRings: | 1 |
