Glycoside
GD029384
Name:
NoneFormula:
C16H22O4N4SSmiles:
OC[C@@H]1O[C@H](n2cnc3c(SC4CCCCC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2SC2CCCCC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 366.44 | Num_heavy_atoms: | 25 |
| TPSA: | 113.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD19115
Formula: C11H13N4S
Smiles:
C1=Nc2c(ncnc2SC2CCCCC2)[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 233.32 | Num_heavy_atoms: | 16 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
