Glycoside
GD082463
Name:
NoneFormula:
C20H31O7N2Smiles:
COc1ccc(CC[NH+]2CCC(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC2)cc1Aglycone:
COc1ccc(CC[NH+]2CCC(N)CC2)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -2.95 | Num_rotatable_bonds: | 10 |
| MolWt: | 411.48 | Num_heavy_atoms: | 29 |
| TPSA: | 140.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD37054
Formula: C14H23ON2
Smiles:
COc1ccc(CC[NH+]2CCC(N)CC2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 235.35 | Num_heavy_atoms: | 17 |
| TPSA: | 39.69 | NumAromaticRings: | 1 |
