Glycoside
GD155477
Name:
1-(2,3-dihydroxy-6-methylhept-6-en-2-yl)-2-hydroxy-3a,6,9b,11a-tetramethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-8,10-dioneFormula:
C35H52O11Smiles:
C=C(C)CCC(O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C)=C(OC5OC(CO)C(O)C(O)C5O)C(=O)CC4C3(C)C(=O)CC12CAglycone:
C=C(C)CCC(O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C)=C(O)C(=O)CC4C3(C)C(=O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.77 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 648.79 | Num_heavy_atoms: | 46 |
| TPSA: | 194.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD61675
Formula: C29H42O6
Smiles:
C=C(C)CCC(O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C)=C(O)C(=O)CC4C3(C)C(=O)CC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 486.65 | Num_heavy_atoms: | 35 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
