Glycoside
GD088009
Name:
NoneFormula:
C19H26O8N4Smiles:
O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c1ccnnc1Aglycone:
O=C(NCC1CCC2NCCOC12)c1ccnnc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | -3.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 438.44 | Num_heavy_atoms: | 31 |
| TPSA: | 182.41 | NumAromaticRings: | 1 |
Unique Aglycone
AD38558
Formula: C13H18O2N4
Smiles:
O=C(NCC1CCC2NCCOC12)c1ccnnc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 262.31 | Num_heavy_atoms: | 19 |
| TPSA: | 76.14 | NumAromaticRings: | 1 |
