Glycoside
GD082499
Name:
NoneFormula:
C20H26O6N3Smiles:
Cc1cc(N2CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2)c2ccccc2[nH+]1Aglycone:
Cc1cc(N2CCNCC2)c2ccccc2[nH+]1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 404.44 | Num_heavy_atoms: | 29 |
| TPSA: | 135.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD37063
Formula: C14H18N3
Smiles:
Cc1cc(N2CCNCC2)c2ccccc2[nH+]1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 228.32 | Num_heavy_atoms: | 17 |
| TPSA: | 29.41 | NumAromaticRings: | 2 |
