Glycoside
GD099023
Name:
NoneFormula:
C21H39O9N2Smiles:
CC[C@]1(C(=O)OC)C[C@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CN1C(=O)OC(C)(C)CAglycone:
CCC1(C(=O)OC)CC([NH2+]CCO)CN1C(=O)OC(C)(C)CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 7 |
| MolWt: | 463.55 | Num_heavy_atoms: | 32 |
| TPSA: | 151.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD42150
Formula: C15H29O5N2
Smiles:
CCC1(C(=O)OC)CC([NH2+]CCO)CN1C(=O)OC(C)(C)C| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 317.41 | Num_heavy_atoms: | 22 |
| TPSA: | 92.68 | NumAromaticRings: | 0 |
