Glycoside
GD134928
Name:
7-[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3a-methoxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-9a-carbaldehydeFormula:
C35H50O14Smiles:
COC12CCC(C3=CC(=O)OC3)C1(C)CCC1C2CCC2=CC(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)CCC21C=OAglycone:
COC12CCC(C3=CC(=O)OC3)C1(C)CCC1C2CCC2=CC(O)CCC21C=OSugarmoiety:
OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 8 |
| MolWt: | 694.77 | Num_heavy_atoms: | 49 |
| TPSA: | 210.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD54580
Formula: C24H32O5
Smiles:
COC12CCC(C3=CC(=O)OC3)C1(C)CCC1C2CCC2=CC(O)CCC21C=O| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 400.52 | Num_heavy_atoms: | 29 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
