Glycoside
GD148213
Name:
4-[2-(6-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,2,4a-trimethyl-5-methylidene-decahydronaphthalen-1-yl)ethyl]-2,5-dihydrofuran-2-oneFormula:
C31H48O12Smiles:
C=C1C(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)CCC2C1(C)CCC(C)C2(C)CCC1=CC(=O)OC1Aglycone:
C=C1C(O)CCC2C1(C)CCC(C)C2(C)CCC1=CC(=O)OC1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 9 |
| MolWt: | 612.71 | Num_heavy_atoms: | 43 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD59320
Formula: C20H30O3
Smiles:
C=C1C(O)CCC2C1(C)CCC(C)C2(C)CCC1=CC(=O)OC1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
