Glycoside
GD085760
Name:
NoneFormula:
C18H21O4N5SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CCCc5sccc5C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2N2CCCc3sccc3C2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 403.46 | Num_heavy_atoms: | 28 |
| TPSA: | 116.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD38187
Formula: C13H12N5S
Smiles:
C1=Nc2c(ncnc2N2CCCc3sccc3C2)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.34 | Num_heavy_atoms: | 19 |
| TPSA: | 55.48 | NumAromaticRings: | 2 |
