Glycoside
GD147534
Name:
Calcitriol 25-O-(Beta-D-Glucuronide)Formula:
C33H52O9Smiles:
C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)CCCC(C)(C)OC2OC(C(=O)O)C(O)C(O)C2O)CC(O)CC1OAglycone:
C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)CCCC(C)(C)O)CC(O)CC1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 3.62 | Num_rotatable_bonds: | 9 |
| MolWt: | 592.77 | Num_heavy_atoms: | 42 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD59078
Formula: C27H44O3
Smiles:
C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)CCCC(C)(C)O)CC(O)CC1O| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 5.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.65 | Num_heavy_atoms: | 30 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
