Glycoside
GD130833
Name:
3-(acetyloxy)-5-hydroxy-6-methyl-2-({3,4,5-trihydroxy-6-[2-methoxy-4-(3-oxoprop-1-en-1-yl)phenoxy]oxan-2-yl}methoxy)oxan-4-yl acetateFormula:
C26H34O14Smiles:
COc1cc(C=CC=O)ccc1OC1OC(COC2OC(C)C(O)C(OC(C)=O)C2OC(C)=O)C(O)C(O)C1OAglycone:
COc1cc(C=CC=O)ccc1OSugarmoiety:
CC(=O)OC1C(OCC2OC(O)C(O)C(O)C2O)OC(C)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 10 |
| MolWt: | 570.54 | Num_heavy_atoms: | 40 |
| TPSA: | 196.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD06867
Formula: C10H10O3
Smiles:
COc1cc(C=CC=O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
