Glycoside
GD064458
Name:
NoneFormula:
C15H22O6N4Smiles:
Cn1ccc(N2CC3(CN(C(=O)[C@H]4O[C@H](O)[C@H](O)[C@@H](O)[C@H]4O)C3)C2)n1Aglycone:
Cn1ccc(N2CC3(CN(C=O)C3)C2)n1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | -3.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 354.36 | Num_heavy_atoms: | 25 |
| TPSA: | 131.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD31020
Formula: C10H14ON4
Smiles:
Cn1ccc(N2CC3(CN(C=O)C3)C2)n1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 206.25 | Num_heavy_atoms: | 15 |
| TPSA: | 41.37 | NumAromaticRings: | 1 |
