Glycoside
GD134436
Name:
Sexangularetin 3-SophorosideFormula:
C28H32O17Smiles:
COc1c(O)cc(O)c2c(=O)c(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)c(-c3ccc(O)cc3)oc12Aglycone:
COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.46 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 640.55 | Num_heavy_atoms: | 45 |
| TPSA: | 278.66 | 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 |
