Glycoside
GD038681
Name:
1-beta-d-glucopyranosyl-1,3,5-triazinane-2,4,6-trioneFormula:
C9H13O8N3Smiles:
O=c1[nH]c(=O)n([C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
O=c1[nH]c(=O)[nH]c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -4.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 291.22 | Num_heavy_atoms: | 20 |
| TPSA: | 177.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD24096
Formula: C3H3O3N3
Smiles:
O=c1[nH]c(=O)[nH]c(=O)[nH]1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 129.07 | Num_heavy_atoms: | 9 |
| TPSA: | 98.58 | NumAromaticRings: | 1 |
