Glycoside
GD118132
Name:
3a-hydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-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-9a-carbaldehydeFormula:
C29H40O10Smiles:
CC12CCC3C(CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1Aglycone:
CC12CCC3C(CC=C4CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 548.63 | Num_heavy_atoms: | 39 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD47202
Formula: C23H30O5
Smiles:
CC12CCC3C(CC=C4CC(O)CCC43C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 386.49 | Num_heavy_atoms: | 28 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
