Glycoside
GD028594
Name:
NoneFormula:
C21H31O3N5SSmiles:
CCSC[C@@H]1O[C@H](n2cnc3c(NC(C4CCC4)C4CCC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC(C2CCC2)C2CCC2)[N]1Sugarmoiety:
CCSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 433.58 | Num_heavy_atoms: | 30 |
| TPSA: | 105.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD18245
Formula: C14H18N5
Smiles:
C1=Nc2c(ncnc2NC(C2CCC2)C2CCC2)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 256.33 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
