Glycoside
GD061689
Name:
NoneFormula:
C13H16O5N4SSmiles:
C=CCSc1nc2c(=O)[nH]cnc2n1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1OAglycone:
C=CCSC1=Nc2c(nc[nH]c2=O)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 340.36 | Num_heavy_atoms: | 23 |
| TPSA: | 133.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD30198
Formula: C8H7ON4S
Smiles:
C=CCSC1=Nc2c(nc[nH]c2=O)[N]1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 207.24 | Num_heavy_atoms: | 14 |
| TPSA: | 72.21 | NumAromaticRings: | 1 |
