Glycoside
GD000480
Name:
NoneFormula:
C19H26O6N6Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(C#CC(OCC)OCC)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CCOC(C#Cc1nc(N)c2c(n1)[N]C=N2)OCCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 434.45 | Num_heavy_atoms: | 31 |
| 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 |
AD00538
Formula: C12H14O2N5
Smiles:
CCOC(C#Cc1nc(N)c2c(n1)[N]C=N2)OCC| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 260.28 | Num_heavy_atoms: | 19 |
| TPSA: | 96.72 | NumAromaticRings: | 1 |
