Glycoside
GD089400
Name:
NoneFormula:
C19H31O10NSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC[C@H](O)C(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CC(C)C(O)CN.COC(C)=OSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.79 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 433.45 | Num_heavy_atoms: | 30 |
| TPSA: | 146.69 | 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 |
AD39000
Formula: C5H13ON
Smiles:
CC(C)C(O)CN| HBA: | 2 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 103.17 | Num_heavy_atoms: | 7 |
| TPSA: | 46.25 | NumAromaticRings: | 0 |
