Glycoside
GD125019
Name:
4-{6b-hydroxy-3-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-11b-methyl-10-methylidene-hexadecahydro-1H-cyclohexa[a]fluoren-9-yl}-2,5-dihydrofuran-2-oneFormula:
C42H64O18Smiles:
C=C1C(C2=CC(=O)OC2)CCC2(O)C1CC1C2CCC2CC(OC3OC(C)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(OC)C3O)CCC21CAglycone:
C=C1C(C2=CC(=O)OC2)CCC2(O)C1CC1C2CCC2CC(O)CCC21CSugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 10 |
| MolWt: | 856.96 | Num_heavy_atoms: | 60 |
| TPSA: | 272.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD45759
Formula: C23H32O4
Smiles:
C=C1C(C2=CC(=O)OC2)CCC2(O)C1CC1C2CCC2CC(O)CCC21C| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.78 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.51 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
