Glycoside
GD007402
Name:
NoneFormula:
C22H24O5N6Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(C#CC(C)(O)c4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
CC(O)(C#Cc1nc(N)c2c(n1)[N]C=N2)c1ccccc1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 452.47 | Num_heavy_atoms: | 33 |
| TPSA: | 168.64 | 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 |
AD06033
Formula: C15H12ON5
Smiles:
CC(O)(C#Cc1nc(N)c2c(n1)[N]C=N2)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 278.3 | Num_heavy_atoms: | 21 |
| TPSA: | 98.49 | NumAromaticRings: | 2 |
