Glycoside
GD128402
Name:
RetinylglucuronideFormula:
C26H38O7Smiles:
CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CCOC1OC(C(=O)O)C(O)C(O)C1OAglycone:
CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CCOSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 462.58 | Num_heavy_atoms: | 33 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD40399
Formula: C20H30O
Smiles:
CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CCO| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 5.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 286.46 | Num_heavy_atoms: | 21 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
