Glycoside
GD137720
Name:
5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-6-[4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]-3,4-dihydroxyoxane-2-carboxylic acidFormula:
C27H26O17Smiles:
O=C(O)C1OC(OC2C(Oc3ccc(-c4cc(=O)c5c(O)cc(O)cc5o4)cc3)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
O=C(O)C1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.37 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 622.49 | Num_heavy_atoms: | 44 |
| TPSA: | 283.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
