Glycoside
GD095426
Name:
NoneFormula:
C20H26O8N4Smiles:
CC(=O)N[C@H]1[C@H](OCCn2cc(COC(=O)c3ccccc3)nn2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
O=C(OCc1cn(CCO)nn1)c1ccccc1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 450.45 | Num_heavy_atoms: | 32 |
| TPSA: | 165.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD36564
Formula: C12H13O3N3
Smiles:
O=C(OCc1cn(CCO)nn1)c1ccccc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 247.25 | Num_heavy_atoms: | 18 |
| TPSA: | 77.24 | NumAromaticRings: | 2 |
