Glycoside
GD157891
Name:
1-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2-hydroxy-3a,6,6,9b-tetramethyl-10-methylidene-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-oneFormula:
C36H54O11Smiles:
C=C1CC2C(C(C)(O)C(=O)CCC(C)(C)O)C(O)CC2(C)C2CC=C3C(C=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C3(C)C)C12CAglycone:
C=C1CC2C(C(C)(O)C(=O)CCC(C)(C)O)C(O)CC2(C)C2CC=C3C(C=C(O)C(=O)C3(C)C)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.78 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 8 |
| MolWt: | 662.82 | Num_heavy_atoms: | 47 |
| TPSA: | 194.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD62374
Formula: C30H44O6
Smiles:
C=C1CC2C(C(C)(O)C(=O)CCC(C)(C)O)C(O)CC2(C)C2CC=C3C(C=C(O)C(=O)C3(C)C)C12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 500.68 | Num_heavy_atoms: | 36 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
