Glycoside
GD115754
Name:
3a-hydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1H,2H,3H,3aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C29H36O9Smiles:
CC12CCC3C(=CC=C4CC(OC5OCC(O)C(O)C5O)CCC43C=O)C1(O)CCC2c1ccc(=O)oc1Aglycone:
CC12CCC3C(=CC=C4CC(O)CCC43C=O)C1(O)CCC2c1ccc(=O)oc1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.66 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 528.6 | Num_heavy_atoms: | 38 |
| TPSA: | 146.66 | NumAromaticRings: | 1 |
Unique Aglycone
AD45852
Formula: C24H28O5
Smiles:
CC12CCC3C(=CC=C4CC(O)CCC43C=O)C1(O)CCC2c1ccc(=O)oc1| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 396.48 | Num_heavy_atoms: | 29 |
| TPSA: | 87.74 | NumAromaticRings: | 1 |
