Glycoside
GD026622
Name:
NoneFormula:
C19H26O5N6Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC)nc(C#CCC(C)O)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CCNc1nc(C#CCC(C)O)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.45 | Num_heavy_atoms: | 30 |
| 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 |
AD17539
Formula: C12H14ON5
Smiles:
CCNc1nc(C#CCC(C)O)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 244.28 | Num_heavy_atoms: | 18 |
| TPSA: | 84.5 | NumAromaticRings: | 1 |
