Glycoside
GD157847
Name:
Toralactone; 9-O-[β-D-Glucopyranosyl-(1->3)-β-D-Glucopyranosyl-(1->6)-β-D-Glucopyranoside]Formula:
C33H42O20Smiles:
COc1cc(OC2OC(COC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(O)C2O)c2c(O)c3c(=O)oc(C)cc3cc2c1Aglycone:
COc1cc(O)c2c(O)c3c(=O)oc(C)cc3cc2c1Sugarmoiety:
OCC1OC(OC2C(O)C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.61 |
| AlogP: | -4.2 | Num_rotatable_bonds: | 10 |
| MolWt: | 758.68 | Num_heavy_atoms: | 53 |
| TPSA: | 317.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD19122
Formula: C15H12O5
Smiles:
COc1cc(O)c2c(O)c3c(=O)oc(C)cc3cc2c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
