Glycoside
GD069822
Name:
3,5-bis(acetyloxy)-2-[(acetyloxy)methyl]-4-cyano-6-methoxyoxane-4-carboxylic acidFormula:
C15H19O10NSmiles:
CO[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@](C#N)(C(=O)O)[C@H]1OC(C)=OAglycone:
COC(C)=OSugarmoiety:
COC1OC(O)C(OC(C)=O)C(C#N)(C(=O)O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 373.31 | Num_heavy_atoms: | 26 |
| TPSA: | 158.45 | 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 |
