Glycoside
GD133024
Name:
5-{[1-(5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)-2,3,4,5,6-pentamethyloxane-2,3,4-triolFormula:
C39H68O6Smiles:
CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(OC5(C)C(C)(CO)OC(C)(O)C(C)(O)C5(C)O)CCC4(C)C3CCC12CAglycone:
CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC1(O)OC(C)(CO)C(C)(O)C(C)(O)C1(C)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.95 |
| AlogP: | 7.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 632.97 | Num_heavy_atoms: | 45 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD46004
Formula: C28H48O
Smiles:
CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 7.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 400.69 | Num_heavy_atoms: | 29 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
