Glycoside
GD108787
Name:
NoneFormula:
C31H52O10NSmiles:
CC[C@H]1OC(=O)C[C@@H](O)[C@@H](C)[C@@H](O[C@H]2O[C@@H](C)[C@@H](O)[C@@H]([NH+](C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@@H]2[C@H]1CAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC2(C)OC2C1CSugarmoiety:
CC1OC(O)C(O)C([NH+](C)C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 598.75 | Num_heavy_atoms: | 42 |
| TPSA: | 156.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD06113
Formula: C23H36O7
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC2(C)OC2C1C| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 424.53 | Num_heavy_atoms: | 30 |
| TPSA: | 113.43 | NumAromaticRings: | 0 |
