Glycoside
GD138025
Name:
3a-hydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C30H40O10Smiles:
CC12CCC3C(C=CC4CC(OC5OC(CO)C(O)C(O)C5O)CCC43C=O)C1(O)CCC2c1ccc(=O)oc1Aglycone:
CC12CCC3C(C=CC4CC(O)CCC43C=O)C1(O)CCC2c1ccc(=O)oc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 560.64 | Num_heavy_atoms: | 40 |
| TPSA: | 166.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD55736
Formula: C24H30O5
Smiles:
CC12CCC3C(C=CC4CC(O)CCC43C=O)C1(O)CCC2c1ccc(=O)oc1| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 398.5 | Num_heavy_atoms: | 29 |
| TPSA: | 87.74 | NumAromaticRings: | 1 |
