Glycoside
GD030304
Name:
NoneFormula:
C22H36O9NSmiles:
CC(=O)OC[C@@H]1OC(OC(C)=O)[C@H]([N+](C)(C)C2CCCCC2)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.C[NH+](C)C1CCCCC1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.82 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 458.53 | Num_heavy_atoms: | 32 |
| TPSA: | 114.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD19610
Formula: C8H18N
Smiles:
C[NH+](C)C1CCCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 128.24 | Num_heavy_atoms: | 9 |
| TPSA: | 4.44 | NumAromaticRings: | 0 |
