Glycoside
GD035761
Name:
NoneFormula:
C19H22O4N4SSmiles:
OC[C@@H]1O[C@H](n2cnc3c(SCCCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2SCCCc2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 402.48 | Num_heavy_atoms: | 28 |
| TPSA: | 113.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD22610
Formula: C14H13N4S
Smiles:
C1=Nc2c(ncnc2SCCCc2ccccc2)[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.21 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 269.35 | Num_heavy_atoms: | 19 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
