Glycoside
GD108705
Name:
NoneFormula:
C24H29O12NSmiles:
COc1cc(/C=N/[C@@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)ccc1OC(C)=OAglycone:
COC(C)=O.COc1cc(C=N)ccc1OC(C)=OSugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 523.49 | Num_heavy_atoms: | 37 |
| TPSA: | 162.32 | 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 |
AD44471
Formula: C10H11O3N
Smiles:
COc1cc(C=N)ccc1OC(C)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 193.2 | Num_heavy_atoms: | 14 |
| TPSA: | 59.38 | NumAromaticRings: | 1 |
