Glycoside
GD137655
Name:
4,5-bis(acetyloxy)-6-(3-oxo-5-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl)oxan-3-yl acetateFormula:
C14H17O8N3SSmiles:
CC(=O)OC1COC(n2ncc(=S)nc2O)C(OC(C)=O)C1OC(C)=OAglycone:
OC1=NC(=S)C=N[N]1Sugarmoiety:
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
AD55602
Formula: C3H2ON3S
Smiles:
OC1=NC(=S)C=N[N]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.14 | Num_heavy_atoms: | 8 |
| TPSA: | 59.05 | NumAromaticRings: | 0 |
