Glycoside
GD142322
Name:
18-hydroxy-15-(5-hydroxy-4-oxopentan-2-yl)-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadec-10-en-14-oneFormula:
C32H48O9Smiles:
CC(CC(=O)CO)C1C(=O)CC2(C)C3=CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35C(O)CC12CAglycone:
CC(CC(=O)CO)C1C(=O)CC2(C)C3=CCC4C(C)(C)C(O)CCC45CC35C(O)CC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 576.73 | Num_heavy_atoms: | 41 |
| TPSA: | 153.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD57278
Formula: C27H40O5
Smiles:
CC(CC(=O)CO)C1C(=O)CC2(C)C3=CCC4C(C)(C)C(O)CCC45CC35C(O)CC12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.85 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.61 | Num_heavy_atoms: | 32 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
