Glycoside
GD003530
Name:
NoneFormula:
C18H17O4N5S2Smiles:
OC[C@@H]1O[C@H](n2cnc3c(CSc4nc5ccccc5s4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(CSc3nc4ccccc4s3)ncnc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 431.5 | Num_heavy_atoms: | 29 |
| TPSA: | 126.41 | NumAromaticRings: | 4 |
Unique Aglycone
AD03203
Formula: C13H8N5S2
Smiles:
C1=Nc2c(CSc3nc4ccccc4s3)ncnc2[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.38 | Num_heavy_atoms: | 20 |
| TPSA: | 65.13 | NumAromaticRings: | 3 |
