Glycoside
GD034141
Name:
NoneFormula:
C22H29O4N5SSmiles:
CCC(C)CNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CCC(C)CNC1=Nc2c(ncnc2SCc2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 459.57 | Num_heavy_atoms: | 32 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD21735
Formula: C17H20N5S
Smiles:
CCC(C)CNC1=Nc2c(ncnc2SCc2ccccc2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 3.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 326.45 | Num_heavy_atoms: | 23 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
