Glycoside
GD099731
Name:
mycophenolic acid acyl glucuronideFormula:
C23H28O12Smiles:
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC2Aglycone:
COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)O)C(=O)OC2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 496.47 | Num_heavy_atoms: | 35 |
| TPSA: | 189.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD40844
Formula: C17H20O6
Smiles:
COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)O)C(=O)OC2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 320.34 | Num_heavy_atoms: | 23 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
