Glycoside
GD073330
Name:
NoneFormula:
C18H25O7N3Smiles:
O=C(NCc1ccnc(N2CCCCCC2=O)c1)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
NCc1ccnc(N2CCCCCC2=O)c1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 395.41 | Num_heavy_atoms: | 28 |
| TPSA: | 160.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD34019
Formula: C12H17ON3
Smiles:
NCc1ccnc(N2CCCCCC2=O)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 219.29 | Num_heavy_atoms: | 16 |
| TPSA: | 59.22 | NumAromaticRings: | 1 |
