Glycoside
GD103455
Name:
NoneFormula:
C22H31O9N2Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccccc2CC[NH3+])[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Nc1ccccc1CC[NH3+]Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 467.5 | Num_heavy_atoms: | 33 |
| TPSA: | 154.1 | NumAromaticRings: | 1 |
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 |
AD43808
Formula: C8H13N2
Smiles:
Nc1ccccc1CC[NH3+]| HBA: | 2 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 137.21 | Num_heavy_atoms: | 10 |
| TPSA: | 53.66 | NumAromaticRings: | 1 |
