Glycoside
GD156946
Name:
6-[(3,4,5-trihydroxyoxan-2-yl)sulfanyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dioneFormula:
C8H11O6N3SSmiles:
Oc1nnc(SC2OCC(O)C(O)C2O)c(O)n1Aglycone:
Oc1nnc(S)c(O)n1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 277.26 | Num_heavy_atoms: | 18 |
| TPSA: | 149.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD51920
Formula: C3H3O2N3S
Smiles:
Oc1nnc(S)c(O)n1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 145.14 | Num_heavy_atoms: | 9 |
| TPSA: | 79.13 | NumAromaticRings: | 1 |
