Glycoside
GD002481
Name:
NoneFormula:
C13H17O5N5SSmiles:
C=CCSc1nc2c(O)nc(N)nc2n1C1OC(CO)[C@H](O)[C@H]1OAglycone:
C=CCSC1=Nc2c(O)nc(N)nc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 355.38 | Num_heavy_atoms: | 24 |
| TPSA: | 159.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD02367
Formula: C8H8ON5S
Smiles:
C=CCSC1=Nc2c(O)nc(N)nc2[N]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 222.25 | Num_heavy_atoms: | 15 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
