Glycoside
GD116115
Name:
3-(2H-1,3-benzodioxol-5-yl)-7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-methoxy-4H-chromen-4-oneFormula:
C28H30O15Smiles:
COc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2cc1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1OAglycone:
COc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2cc1OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 606.53 | Num_heavy_atoms: | 43 |
| TPSA: | 216.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD46058
Formula: C17H12O6
Smiles:
COc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2cc1O| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 312.28 | Num_heavy_atoms: | 23 |
| TPSA: | 78.13 | NumAromaticRings: | 3 |
