Glycoside
GD018694
Name:
NoneFormula:
C18H25O4N7Smiles:
CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CNC(=O)NC)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCC#Cc1nc(N)c2c(n1)[N]C=N2.CNC(=O)NCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 403.44 | Num_heavy_atoms: | 29 |
| TPSA: | 160.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD01593
Formula: C3H8ON2
Smiles:
CNC(=O)NC| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
AD02797
Formula: C11H12N5
Smiles:
CCCCC#Cc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 214.25 | Num_heavy_atoms: | 16 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
