Glycoside
GD029197
Name:
NoneFormula:
C19H26O8N4Smiles:
O=C(NCC(CNC(=O)c1ccc[nH]1)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccc[nH]1Aglycone:
O=C(NCC(O)CNC(=O)c1ccc[nH]1)c1ccc[nH]1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 438.44 | Num_heavy_atoms: | 31 |
| TPSA: | 189.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD19024
Formula: C13H16O3N4
Smiles:
O=C(NCC(O)CNC(=O)c1ccc[nH]1)c1ccc[nH]1| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 276.3 | Num_heavy_atoms: | 20 |
| TPSA: | 110.01 | NumAromaticRings: | 2 |
