Glycoside
GD104975
Name:
Retinoyl GlucuronideFormula:
C26H36O8Smiles:
CC1=C(/C=C/C(C)=C\C=C\C(C)=C/C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1Aglycone:
CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 476.57 | Num_heavy_atoms: | 34 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD03608
Formula: C20H28O2
Smiles:
CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 5.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 300.44 | Num_heavy_atoms: | 22 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
