Glycoside
GD004955
Name:
NoneFormula:
C19H27O3N5SSmiles:
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CSC(C)C)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCC#Cc1nc(N)c2c(n1)[N]C=N2.CSC(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 405.52 | Num_heavy_atoms: | 28 |
| TPSA: | 119.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD02797
Formula: C11H12N5
Smiles:
CCCCC#Cc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 214.25 | Num_heavy_atoms: | 16 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD03565
Formula: C4H10S
Smiles:
CSC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 90.19 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
