Glycoside
GD001554
Name:
NoneFormula:
C10H11O5N3S2Smiles:
O=c1[nH]c(=S)[nH]c2c(C3OC(CO)C(O)C3O)nsc12Aglycone:
O=c1[nH]c(=S)[nH]c2cnsc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 317.35 | Num_heavy_atoms: | 20 |
| TPSA: | 131.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD01550
Formula: C5H3ON3S2
Smiles:
O=c1[nH]c(=S)[nH]c2cnsc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 185.23 | Num_heavy_atoms: | 11 |
| TPSA: | 61.54 | NumAromaticRings: | 2 |
