Glycoside
GD079546
Name:
NoneFormula:
C19H28O7N3Smiles:
O=C(C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
c1cncc(COC2CC3CNCC[NH+]3C2)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | -3.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 410.45 | Num_heavy_atoms: | 29 |
| TPSA: | 144.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD36362
Formula: C13H20ON3
Smiles:
c1cncc(COC2CC3CNCC[NH+]3C2)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.62 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 234.32 | Num_heavy_atoms: | 17 |
| TPSA: | 38.59 | NumAromaticRings: | 1 |
