Glycoside
GD066979
Name:
NoneFormula:
C16H24O6N3Smiles:
Cc1c[nH+]ccc1N1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1Aglycone:
Cc1c[nH+]ccc1N1CCNCC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -2.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 354.38 | Num_heavy_atoms: | 25 |
| TPSA: | 135.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD32020
Formula: C10H16N3
Smiles:
Cc1c[nH+]ccc1N1CCNCC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.26 | Num_heavy_atoms: | 13 |
| TPSA: | 29.41 | NumAromaticRings: | 1 |
