Glycoside
GD157128
Name:
15-[4-(3,3-dimethyloxiran-2-yl)-4-oxobutan-2-yl]-13,18-dihydroxy-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:
C35H52O10Smiles:
CC(CC(=O)C1OC1(C)C)C1C(=O)C(O)C2(C)C3=CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35C(O)CC12CAglycone:
CC(CC(=O)C1OC1(C)C)C1C(=O)C(O)C2(C)C3=CCC4C(C)(C)C(O)CCC45CC35C(O)CC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 632.79 | Num_heavy_atoms: | 45 |
| TPSA: | 166.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD62151
Formula: C30H44O6
Smiles:
CC(CC(=O)C1OC1(C)C)C1C(=O)C(O)C2(C)C3=CCC4C(C)(C)C(O)CCC45CC35C(O)CC12C| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 500.68 | Num_heavy_atoms: | 36 |
| TPSA: | 107.36 | NumAromaticRings: | 0 |
