Glycoside
GD117720
Name:
1-O-(5,6-Epoxyretinoyl)-Beta-D-Glucuronic AcidFormula:
C26H36O9Smiles:
CC(C=CC12OC1(C)CCCC2(C)C)=CC=CC(C)=CC(=O)OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
CC(C=CC12OC1(C)CCCC2(C)C)=CC=CC(C)=CC(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.57 | Num_heavy_atoms: | 35 |
| TPSA: | 146.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD46974
Formula: C20H28O3
Smiles:
CC(C=CC12OC1(C)CCCC2(C)C)=CC=CC(C)=CC(=O)O| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 4.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.44 | Num_heavy_atoms: | 23 |
| TPSA: | 49.83 | NumAromaticRings: | 0 |
