Glycoside
GD123532
Name:
3,4,5-trihydroxy-6-({4-oxo-3-[4-(sulfooxy)phenyl]-4H-chromen-7-yl}oxy)oxane-2-carboxylic acidFormula:
C21H18O13SSmiles:
O=C(O)C1OC(Oc2ccc3c(=O)c(-c4ccc(OS(=O)(=O)O)cc4)coc3c2)C(O)C(O)C1OAglycone:
O=c1c(-c2ccc(OS(=O)(=O)O)cc2)coc2cc(O)ccc12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 510.43 | Num_heavy_atoms: | 35 |
| TPSA: | 210.26 | NumAromaticRings: | 3 |
Unique Aglycone
AD49866
Formula: C15H10O7S
Smiles:
O=c1c(-c2ccc(OS(=O)(=O)O)cc2)coc2cc(O)ccc12| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 334.31 | Num_heavy_atoms: | 23 |
| TPSA: | 114.04 | NumAromaticRings: | 3 |
