Glycoside
GD118471
Name:
Sexangularetin 3-RutinosideFormula:
C28H32O16Smiles:
COc1c(O)cc(O)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)c(-c3ccc(O)cc3)oc12Aglycone:
COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 624.55 | Num_heavy_atoms: | 44 |
| TPSA: | 258.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD47195
Formula: C16H12O7
Smiles:
COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.26 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
