Glycoside
GD119800
Name:
6-{[6-(2,3-dihydroxy-4-methoxyphenyl)-9-hydroxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C23H20O15Smiles:
COc1ccc(-c2oc3cc4c(c(O)c3c(=O)c2OC2OC(C(=O)O)C(O)C(O)C2O)OCO4)c(O)c1OAglycone:
COc1ccc(-c2oc3cc4c(c(O)c3c(=O)c2O)OCO4)c(O)c1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 536.4 | Num_heavy_atoms: | 38 |
| TPSA: | 235.04 | NumAromaticRings: | 3 |
Unique Aglycone
AD48056
Formula: C17H12O9
Smiles:
COc1ccc(-c2oc3cc4c(c(O)c3c(=O)c2O)OCO4)c(O)c1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 360.27 | Num_heavy_atoms: | 26 |
| TPSA: | 138.82 | NumAromaticRings: | 3 |
