Glycoside
GD099027
Name:
NoneFormula:
C22H33O8N2Smiles:
COC(=O)[C@@H]1C[C@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CCN1C(=O)c1ccccc1Aglycone:
COC(=O)C1CC([NH2+]CCO)CCN1C(=O)c1ccccc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 453.51 | Num_heavy_atoms: | 32 |
| TPSA: | 142.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD42151
Formula: C16H23O4N2
Smiles:
COC(=O)C1CC([NH2+]CCO)CCN1C(=O)c1ccccc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 307.37 | Num_heavy_atoms: | 22 |
| TPSA: | 83.45 | NumAromaticRings: | 1 |
