Glycoside
GD141438
Name:
OccidentosideFormula:
C36H32O15Smiles:
O=C1CC(c2ccc(Oc3c(O)c(C(=O)C=Cc4ccc(O)cc4)c(O)c(C4OC(CO)C(O)C(O)C4O)c3O)cc2)Oc2cc(O)cc(O)c21Aglycone:
O=C1CC(c2ccc(Oc3c(O)cc(O)c(C(=O)C=Cc4ccc(O)cc4)c3O)cc2)Oc2cc(O)cc(O)c21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.22 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 8 |
| MolWt: | 704.64 | Num_heavy_atoms: | 51 |
| TPSA: | 264.13 | NumAromaticRings: | 4 |
Unique Aglycone
AD56979
Formula: C30H22O10
Smiles:
O=C1CC(c2ccc(Oc3c(O)cc(O)c(C(=O)C=Cc4ccc(O)cc4)c3O)cc2)Oc2cc(O)cc(O)c21| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 5.32 | Num_rotatable_bonds: | 6 |
| MolWt: | 542.5 | Num_heavy_atoms: | 40 |
| TPSA: | 173.98 | NumAromaticRings: | 4 |
