Glycoside
GD120820
Name:
2-{[6b-hydroxy-11b-methyl-10-methylidene-9-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclohexa[a]fluoren-3-yl]oxy}-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetateFormula:
C38H56O14Smiles:
C=C1C(C2=CC(=O)OC2)CCC2(O)C1CC1C2CCC2CC(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3OC(C)=O)CCC21CAglycone:
C=C1C(C2=CC(=O)OC2)CCC2(O)C1CC1C2CCC2CC(O)CCC21CSugarmoiety:
COC1C(OC2OC(CO)C(O)C(O)C2O)C(C)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 736.85 | Num_heavy_atoms: | 52 |
| TPSA: | 199.9 | 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 |
