Glycoside
GD084953
Name:
NoneFormula:
C21H33O7N2Smiles:
COc1ccc(C(=O)N2CCC([NH2+]CCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)CC2)cc1Aglycone:
COc1ccc(C(=O)N2CCC([NH2+]CCO)CC2)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 425.5 | Num_heavy_atoms: | 30 |
| TPSA: | 125.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD38018
Formula: C15H23O3N2
Smiles:
COc1ccc(C(=O)N2CCC([NH2+]CCO)CC2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 279.36 | Num_heavy_atoms: | 20 |
| TPSA: | 66.38 | NumAromaticRings: | 1 |
