Glycoside
GD151023
Name:
Tricin 4'-O-(Erythro-Beta-Guaiacylglyceryl) Ether 7''-O-Beta-D-GlucopyranosideFormula:
C33H36O16Smiles:
COc1cc(C(OC2OC(CO)C(O)C(O)C2O)C(CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1OAglycone:
COc1cc(C(O)C(CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.36 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 12 |
| MolWt: | 688.64 | Num_heavy_atoms: | 49 |
| TPSA: | 247.43 | NumAromaticRings: | 4 |
Unique Aglycone
AD53515
Formula: C27H26O11
Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.22 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 526.49 | Num_heavy_atoms: | 38 |
| TPSA: | 168.28 | NumAromaticRings: | 4 |
