Glycoside
GD136230
Name:
1-(6-methoxy-6-methylhept-4-en-2-yl)-3a,6,6,11a-tetramethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9b-carbaldehydeFormula:
C37H60O8Smiles:
COC(C)(C)C=CCC(C)C1CCC2(C)C3C(OC4OC(CO)C(O)C(O)C4O)C=C4C(CCCC4(C)C)C3(C=O)CCC12CAglycone:
COC(C)(C)C=CCC(C)C1CCC2(C)C3C(O)C=C4C(CCCC4(C)C)C3(C=O)CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 4.96 | Num_rotatable_bonds: | 9 |
| MolWt: | 632.88 | Num_heavy_atoms: | 45 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD55059
Formula: C31H50O3
Smiles:
COC(C)(C)C=CCC(C)C1CCC2(C)C3C(O)C=C4C(CCCC4(C)C)C3(C=O)CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 7.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 470.74 | Num_heavy_atoms: | 34 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
