Glycoside
GD025368
Name:
NoneFormula:
C21H25O4N5SSmiles:
OC[C@@H]1OC(n2cnc3c(NC4CCCC4)nc(Sc4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(Sc3ccccc3)nc2NC2CCCC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.53 | Num_heavy_atoms: | 31 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD16827
Formula: C16H16N5S
Smiles:
C1=Nc2c(nc(Sc3ccccc3)nc2NC2CCCC2)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 310.41 | Num_heavy_atoms: | 22 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
