Glycoside
GD015757
Name:
NoneFormula:
C22H22O5N6Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(C(C)=O)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CC(=O)c1ccc(C#Cc2nc(N)c3c(n2)[N]C=N3)cc1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 450.46 | Num_heavy_atoms: | 33 |
| TPSA: | 165.48 | 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 |
AD11414
Formula: C15H10ON5
Smiles:
CC(=O)c1ccc(C#Cc2nc(N)c3c(n2)[N]C=N3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 276.28 | Num_heavy_atoms: | 21 |
| TPSA: | 95.33 | NumAromaticRings: | 2 |
