Glycoside
GD025437
Name:
NoneFormula:
C21H21O5N6FSmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NOC)nc(C#Cc4ccc(F)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CONc1nc(C#Cc2ccc(F)cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.43 | Num_heavy_atoms: | 33 |
| TPSA: | 143.65 | NumAromaticRings: | 3 |
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 |
AD01966
Formula: C14H9ON5F
Smiles:
CONc1nc(C#Cc2ccc(F)cc2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.26 | Num_heavy_atoms: | 21 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
