Glycoside
GD143817
Name:
3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-6-[(2-{4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}-5-hydroxy-4-oxo-4H-chromen-7-yl)oxy]-4,5-dihydroxyoxane-2-carboxylic acidFormula:
C33H34O23Smiles:
O=C(O)C1OC(Oc2ccc(-c3cc(=O)c4c(O)cc(OC5OC(C(=O)O)C(OC6OC(C(=O)O)C(O)C(O)C6O)C(O)C5O)cc4o3)cc2)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.O=C(O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.45 |
| AlogP: | -4.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 798.61 | Num_heavy_atoms: | 56 |
| TPSA: | 379.56 | 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 |
