Glycoside
GD104479
Name:
NoneFormula:
C24H42O7NSmiles:
C[NH2+]C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1Aglycone:
CC(C)(C)c1cc(CCC=O)cc(C(C)(C)C)c1OSugarmoiety:
C[NH2+]CC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 456.6 | Num_heavy_atoms: | 32 |
| TPSA: | 144.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD43968
Formula: C17H26O2
Smiles:
CC(C)(C)c1cc(CCC=O)cc(C(C)(C)C)c1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.59 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 262.39 | Num_heavy_atoms: | 19 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
