Glycoside
GD034623
Name:
NoneFormula:
C20H23O4N5SSmiles:
OC[C@@H]1OC(n2c(NC3CC3)nc3c(SCc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
c1ccc(CSc2ncnc3c2N=C(NC2CC2)[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 429.5 | Num_heavy_atoms: | 30 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD21986
Formula: C15H14N5S
Smiles:
c1ccc(CSc2ncnc3c2N=C(NC2CC2)[N]3)cc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.38 | Num_heavy_atoms: | 21 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
