Glycoside
GD032419
Name:
NoneFormula:
C18H21O4N7Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(C#CCCCC#N)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.N#CCCCC#Cc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 399.41 | Num_heavy_atoms: | 29 |
| TPSA: | 172.2 | 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 |
AD20796
Formula: C11H9N6
Smiles:
N#CCCCC#Cc1nc(N)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 225.24 | Num_heavy_atoms: | 17 |
| TPSA: | 102.05 | NumAromaticRings: | 1 |
