Glycoside
GD115355
Name:
7-[(6-{[(3,4-dihydroxy-4-methoxyoxolan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-6-methoxy-3-(6-methoxy-2H-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C29H34O16Smiles:
COc1cc2c(cc1OC1OC(COC3OCC(O)(OC)C3O)C(O)C(O)C1O)OCC(c1cc3c(cc1OC)OCO3)C2=OAglycone:
COc1cc2c(cc1O)OCC(c1cc3c(cc1OC)OCO3)C2=OSugarmoiety:
COC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 638.58 | Num_heavy_atoms: | 45 |
| TPSA: | 210.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD45615
Formula: C18H16O7
Smiles:
COc1cc2c(cc1O)OCC(c1cc3c(cc1OC)OCO3)C2=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 83.45 | NumAromaticRings: | 2 |
