Glycoside
GD147946
Name:
Tricetin 7,3'-DiglucuronideFormula:
C27H26O19Smiles:
O=C(O)C1OC(Oc2cc(O)c3c(=O)cc(-c4cc(O)c(O)c(OC5OC(C(=O)O)C(O)C(O)C5O)c4)oc3c2)C(O)C(O)C1OAglycone:
O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.37 |
| AlogP: | -2.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 654.49 | Num_heavy_atoms: | 46 |
| TPSA: | 323.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD15950
Formula: C15H10O7
Smiles:
O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
