Glycoside
GD144429
Name:
Calcidiol 25-O-(Beta-D-Glucuronide)Formula:
C33H52O8Smiles:
C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CCCC(C)(C)OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CCCC(C)(C)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 9 |
| MolWt: | 576.77 | Num_heavy_atoms: | 41 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD58046
Formula: C27H44O2
Smiles:
C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CCCC(C)(C)O| HBA: | 2 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 6.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 400.65 | Num_heavy_atoms: | 29 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
