Glycoside
GD126427
Name:
Gossypetin 8-Glucuronide-3-SulfateFormula:
C21H18O17SSmiles:
O=C(O)C1OC(Oc2c(O)cc(O)c3c(=O)c(OS(=O)(=O)O)c(-c4ccc(O)c(O)c4)oc23)C(O)C(O)C1OAglycone:
O=c1c(OS(=O)(=O)O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.24 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 574.43 | Num_heavy_atoms: | 39 |
| TPSA: | 291.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD48330
Formula: C15H10O11S
Smiles:
O=c1c(OS(=O)(=O)O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 398.3 | Num_heavy_atoms: | 27 |
| TPSA: | 194.96 | NumAromaticRings: | 3 |
