Glycoside
GD072912
Name:
NoneFormula:
C19H25O6N3Smiles:
Cn1c(C2CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2)nc2ccccc21Aglycone:
Cn1c(C2CCNCC2)nc2ccccc21Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 391.42 | Num_heavy_atoms: | 28 |
| TPSA: | 136.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD33914
Formula: C13H17N3
Smiles:
Cn1c(C2CCNCC2)nc2ccccc21| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 215.3 | Num_heavy_atoms: | 16 |
| TPSA: | 29.85 | NumAromaticRings: | 2 |
