Glycoside
GD097790
Name:
NoneFormula:
C22H25O7N4ClSmiles:
O=C(C(=O)N1CCN(c2cncc(OCc3cccc(Cl)c3)n2)CC1)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
Clc1cccc(COc2cncc(N3CCNCC3)n2)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 480.91 | Num_heavy_atoms: | 33 |
| TPSA: | 156.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD41616
Formula: C16H17ON4Cl
Smiles:
Clc1cccc(COc2cncc(N3CCNCC3)n2)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.78 | Num_heavy_atoms: | 21 |
| TPSA: | 50.28 | NumAromaticRings: | 2 |
