Glycoside
GD156565
Name:
3,4,5-trihydroxy-6-[4-(3,5,7,8-tetrahydroxy-4-oxo-4H-chromen-2-yl)phenoxy]oxane-2-carboxylic acidFormula:
C21H18O13Smiles:
O=C(O)C1OC(Oc2ccc(-c3oc4c(O)c(O)cc(O)c4c(=O)c3O)cc2)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.24 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 478.36 | Num_heavy_atoms: | 34 |
| TPSA: | 227.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD03890
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
