Glycoside
GD140787
Name:
4-{2-[4,7-dihydroxy-5-(hydroxymethyl)-2,8a-dimethyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl}-2,5-dihydrofuran-2-oneFormula:
C26H40O11Smiles:
CC1=C(CCC2=CC(=O)OC2)C2(C)CC(O)CC(CO)(COC3OC(CO)C(O)C(O)C3O)C2C(O)C1Aglycone:
CC1=C(CCC2=CC(=O)OC2)C2(C)CC(O)CC(CO)(CO)C2C(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 528.6 | Num_heavy_atoms: | 37 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD56761
Formula: C20H30O6
Smiles:
CC1=C(CCC2=CC(=O)OC2)C2(C)CC(O)CC(CO)(CO)C2C(O)C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.45 | Num_heavy_atoms: | 26 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
