Glycoside
GD082978
Name:
NoneFormula:
C18H27O10NSmiles:
CC(=O)OC[C@H]1O[C@@H](N2CCOCC2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
C1COCCN1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.78 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 417.41 | Num_heavy_atoms: | 29 |
| TPSA: | 126.9 | 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 |
AD24874
Formula: C4H9ON
Smiles:
C1COCCN1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 87.12 | Num_heavy_atoms: | 6 |
| TPSA: | 21.26 | NumAromaticRings: | 0 |
