Glycoside
GD099017
Name:
NoneFormula:
C22H40O9NSmiles:
CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+][C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC[C@H]1C(=O)OC(C)(C)CAglycone:
CC(C)(C)OC(=O)C1CCC([NH3+])CC1C(=O)OC(C)(C)CSugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.56 | Num_heavy_atoms: | 32 |
| TPSA: | 159.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD42149
Formula: C16H30O4N
Smiles:
CC(C)(C)OC(=O)C1CCC([NH3+])CC1C(=O)OC(C)(C)C| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.42 | Num_heavy_atoms: | 21 |
| TPSA: | 80.24 | NumAromaticRings: | 0 |
