Glycoside
GD157095
Name:
[3,4,5-tris(acetyloxy)-6-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl)oxan-2-yl]methyl acetateFormula:
C17H21O11N3Smiles:
CC(=O)OCC1OC(n2ncc(O)nc2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.O=c1nc(O)cn[nH]1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.59 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.37 | Num_heavy_atoms: | 31 |
| TPSA: | 182.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD48589
Formula: C3H3O2N3
Smiles:
O=c1nc(O)cn[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.08 | Num_heavy_atoms: | 8 |
| TPSA: | 78.87 | NumAromaticRings: | 1 |
