Glycoside
GD023070
Name:
NoneFormula:
C22H27O4N5SSmiles:
OC[C@@H]1OC(n2c(NC3CCCC3)nc3c(SCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
c1ccc(CSc2ncnc3c2N=C(NC2CCCC2)[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 457.56 | Num_heavy_atoms: | 32 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD15562
Formula: C17H18N5S
Smiles:
c1ccc(CSc2ncnc3c2N=C(NC2CCCC2)[N]3)cc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 4 |
| MolWt: | 324.43 | Num_heavy_atoms: | 23 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
