Glycoside
GD085730
Name:
NoneFormula:
C19H24O9NSmiles:
CCOC(=O)c1ccc[n+]([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c1Aglycone:
CCOC(=O)c1ccc[nH+]c1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 410.4 | Num_heavy_atoms: | 29 |
| TPSA: | 118.31 | 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 |
AD04427
Formula: C8H10O2N
Smiles:
CCOC(=O)c1ccc[nH+]c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.17 | Num_heavy_atoms: | 11 |
| TPSA: | 40.44 | NumAromaticRings: | 1 |
