Glycoside
GD157647
Name:
3,4,5-trihydroxy-6-{[9-hydroxy-6-(3-hydroxy-4-methoxyphenyl)-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-7-yl]oxy}oxane-2-carboxylic acidFormula:
C23H20O14Smiles:
COc1ccc(-c2oc3cc4c(c(O)c3c(=O)c2OC2OC(C(=O)O)C(O)C(O)C2O)OCO4)cc1OAglycone:
COc1ccc(-c2oc3cc4c(c(O)c3c(=O)c2O)OCO4)cc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 520.4 | Num_heavy_atoms: | 37 |
| TPSA: | 214.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD62309
Formula: C17H12O8
Smiles:
COc1ccc(-c2oc3cc4c(c(O)c3c(=O)c2O)OCO4)cc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 344.28 | Num_heavy_atoms: | 25 |
| TPSA: | 118.59 | NumAromaticRings: | 3 |
