Glycoside
GD157805
Name:
5-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl)-4-(4-methylbenzoyloxy)-2-[(4-methylbenzoyloxy)methyl]oxolan-3-yl 4-methylbenzoateFormula:
C32H29O9N3Smiles:
Cc1ccc(C(=O)OCC2OC(n3ncc(O)nc3=O)C(OC(=O)c3ccc(C)cc3)C2OC(=O)c2ccc(C)cc2)cc1Aglycone:
COC(=O)c1ccc(C)cc1.Cc1ccc(C(=O)O)cc1.Cc1ccc(C(=O)O)cc1.O=c1nc(O)cn[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 599.6 | Num_heavy_atoms: | 44 |
| TPSA: | 156.14 | NumAromaticRings: | 4 |
Unique Aglycone
AD00492
Formula: C8H8O2
Smiles:
Cc1ccc(C(=O)O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD04171
Formula: C9H10O2
Smiles:
COC(=O)c1ccc(C)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
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 |
