Glycoside
GD122858
Name:
4-(acetyloxy)-2,5-dihydroxy-6-{[(2-hydroxypropyl)amino]methyl}oxan-3-yl 2-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-[3-(2-hydroxyethyl)phenyl]butanoateFormula:
C31H41O11NSmiles:
COc1cc(C=C(CCc2cccc(CCO)c2)C(=O)OC2C(O)OC(CNCC(C)O)C(O)C2OC(C)=O)ccc1OAglycone:
CNCC(C)O.COc1cc(C=C(CCc2cccc(CCO)c2)C(=O)O)ccc1OSugarmoiety:
CC(=O)OC1C(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 14 |
| MolWt: | 603.67 | Num_heavy_atoms: | 43 |
| TPSA: | 184.24 | NumAromaticRings: | 2 |
Unique Aglycone
AD46878
Formula: C20H22O5
Smiles:
COc1cc(C=C(CCc2cccc(CCO)c2)C(=O)O)ccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 342.39 | Num_heavy_atoms: | 25 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
AD49499
Formula: C4H11ON
Smiles:
CNCC(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 89.14 | Num_heavy_atoms: | 6 |
| TPSA: | 32.26 | NumAromaticRings: | 0 |
