Glycoside
GD118209
Name:
15-(5-hydroxy-6-methyl-4-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]tetracyclo[9.7.0.0³,â¸.0¹²,¹â¶]octadeca-1(18),3,10-trien-14-oneFormula:
C41H62O14Smiles:
CC(CC(=O)C(O)C(C)(C)OC1OC(CO)C(O)C(O)C1O)C1C(=O)CC2(C)C3=CCC4C(=CCC(OC5OCC(O)C(O)C5O)C4(C)C)CC3=CCC12CAglycone:
CC(CC(=O)C(O)C(C)(C)O)C1C(=O)CC2(C)C3=CCC4C(=CCC(O)C4(C)C)CC3=CCC12CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.8 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 778.93 | Num_heavy_atoms: | 55 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD47241
Formula: C30H44O5
Smiles:
CC(CC(=O)C(O)C(C)(C)O)C1C(=O)CC2(C)C3=CCC4C(=CCC(O)C4(C)C)CC3=CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 484.68 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
