Glycoside
GD128622
Name:
4-(acetyloxy)-2,5-dihydroxy-6-[2-(methylamino)ethyl]oxan-3-yl 6-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-[3-(2-hydroxyethyl)phenyl]hexanoateFormula:
C32H43O11NSmiles:
CNCCC1OC(O)C(OC(=O)C(=Cc2ccc(O)c(OC)c2)CC(CCO)c2cccc(CCO)c2)C(OC(C)=O)C1OAglycone:
COc1cc(C=C(CC(CCO)c2cccc(CCO)c2)C(=O)O)ccc1OSugarmoiety:
CNCCC1OC(O)C(O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 15 |
| MolWt: | 617.69 | Num_heavy_atoms: | 44 |
| TPSA: | 184.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD48346
Formula: C22H26O6
Smiles:
COc1cc(C=C(CC(CCO)c2cccc(CCO)c2)C(=O)O)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 10 |
| MolWt: | 386.44 | Num_heavy_atoms: | 28 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
