Glycoside
GD133381
Name:
Dillenetin 5-Glucoside-7-GlucuronideFormula:
C29H32O18Smiles:
COc1ccc(-c2oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc(OC4OC(CO)C(O)C(O)C4O)c3c(=O)c2O)cc1OCAglycone:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1OCSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.45 |
| AlogP: | -2.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 668.56 | Num_heavy_atoms: | 47 |
| TPSA: | 284.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD09742
Formula: C17H14O7
Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1OC| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
