Glycoside
GD005975
Name:
NoneFormula:
C19H21O4N5SSmiles:
OC[C@@H]1O[C@H](n2cnc3c(NC4CSc5ccccc5C4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CSc3ccccc3C2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 415.48 | Num_heavy_atoms: | 29 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD04992
Formula: C14H12N5S
Smiles:
C1=Nc2c(ncnc2NC2CSc3ccccc3C2)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.35 | Num_heavy_atoms: | 20 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
