Glycoside
GD157664
Name:
4-hydroxy-1-(6-methoxy-6-methylhept-4-en-2-yl)-3a,6,6,11a-tetramethyl-7-{[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:
C37H60O9Smiles:
COC(C)(C)C=CCC(C)C1CCC2(C)C3C(O)C=C4C(CCC(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C=O)CCC12CAglycone:
COC(C)(C)C=CCC(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C=O)CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 648.88 | Num_heavy_atoms: | 46 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD19880
Formula: C31H50O4
Smiles:
COC(C)(C)C=CCC(C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(C=O)CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.84 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.74 | Num_heavy_atoms: | 35 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
