Glycoside
GD034161
Name:
NoneFormula:
C23H27O4N7Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(N)nc(C#CN(C)CCc4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CN(C#Cc1nc(N)c2c(n1)[N]C=N2)CCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 465.51 | Num_heavy_atoms: | 34 |
| TPSA: | 151.65 | 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 |
AD21747
Formula: C16H15N6
Smiles:
CN(C#Cc1nc(N)c2c(n1)[N]C=N2)CCc1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 291.34 | Num_heavy_atoms: | 22 |
| TPSA: | 81.5 | NumAromaticRings: | 2 |
