Glycoside
GD149148
Name:
2-(5-benzamido-3-oxo-2,3-dihydro-1,2,4-triazin-2-yl)-4-(benzoyloxy)-5-(hydroxymethyl)oxolan-3-yl benzoateFormula:
C29H24O8N4Smiles:
O=C(OC1C(CO)OC(n2ncc(N=C(O)c3ccccc3)nc2=O)C1OC(=O)c1ccccc1)c1ccccc1Aglycone:
O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=c1nc(N=C(O)c2ccccc2)cn[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 8 |
| MolWt: | 556.53 | Num_heavy_atoms: | 41 |
| TPSA: | 162.43 | NumAromaticRings: | 4 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD59642
Formula: C10H8O2N4
Smiles:
O=c1nc(N=C(O)c2ccccc2)cn[nH]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 216.2 | Num_heavy_atoms: | 16 |
| TPSA: | 91.23 | NumAromaticRings: | 2 |
