Glycoside
GD023064
Name:
NoneFormula:
C23H31O4N5SSmiles:
CCCCCCNc1nc2c(SCc3ccccc3)ncnc2n1C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CCCCCCNC1=Nc2c(ncnc2SCc2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 11 |
| MolWt: | 473.6 | Num_heavy_atoms: | 33 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD15557
Formula: C18H22N5S
Smiles:
CCCCCCNC1=Nc2c(ncnc2SCc2ccccc2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.39 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 340.48 | Num_heavy_atoms: | 24 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
