Glycoside
GD051310
Name:
[4-(acetyloxy)-5-methoxy-3-(N-methylacetamido)oxolan-2-yl]methyl acetateFormula:
C13H21O7NSmiles:
CO[C@H]1O[C@@H](COC(C)=O)[C@@H](N(C)C(C)=O)[C@H]1OC(C)=OAglycone:
CNC(C)=O.COC(C)=OSugarmoiety:
COC1OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.77 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 303.31 | Num_heavy_atoms: | 21 |
| TPSA: | 91.37 | 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 |
AD01019
Formula: C3H7ON
Smiles:
CNC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
