Glycoside
GD152761
Name:
4,5-bis(acetyloxy)-6-(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl)oxan-3-yl acetateFormula:
C14H17O8N3SSmiles:
CC(=O)OC1COC(n2ncc(O)nc2=S)C(OC(C)=O)C1OC(C)=OAglycone:
Oc1cn[nH]c(=S)n1Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 387.37 | Num_heavy_atoms: | 26 |
| TPSA: | 139.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD60802
Formula: C3H3ON3S
Smiles:
Oc1cn[nH]c(=S)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 0 |
| MolWt: | 129.14 | Num_heavy_atoms: | 8 |
| TPSA: | 61.8 | NumAromaticRings: | 1 |
