Glycoside
GD116914
Name:
6-{[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C21H20O14Smiles:
O=C1c2c(O)cc(O)cc2OC(c2cc(O)c(O)c(O)c2)C1OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
O=C1c2c(O)cc(O)cc2OC(c2cc(O)c(O)c(O)c2)C1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.33 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 496.38 | Num_heavy_atoms: | 35 |
| TPSA: | 243.9 | NumAromaticRings: | 2 |
Unique Aglycone
AD46522
Formula: C15H12O8
Smiles:
O=C1c2c(O)cc(O)cc2OC(c2cc(O)c(O)c(O)c2)C1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.13 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 320.25 | Num_heavy_atoms: | 23 |
| TPSA: | 147.68 | NumAromaticRings: | 2 |
