Glycoside
GD146040
Name:
Elgonica-Dimer BFormula:
C35H30O14Smiles:
O=C1c2cc(CO)cc(O)c2C(=O)c2c1ccc(C1(C3OC(CO)C(O)C(O)C3O)c3cccc(O)c3Oc3c(O)cc(CO)cc31)c2OAglycone:
O=C1c2cc(CO)cc(O)c2C(=O)c2c1ccc(C1c3cccc(O)c3Oc3c(O)cc(CO)cc31)c2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.26 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 674.61 | Num_heavy_atoms: | 49 |
| TPSA: | 254.9 | NumAromaticRings: | 4 |
Unique Aglycone
AD58585
Formula: C29H20O9
Smiles:
O=C1c2cc(CO)cc(O)c2C(=O)c2c1ccc(C1c3cccc(O)c3Oc3c(O)cc(CO)cc31)c2O| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.1 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 512.47 | Num_heavy_atoms: | 38 |
| TPSA: | 164.75 | NumAromaticRings: | 4 |
