Glycoside
GD125130
Name:
4-({[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-oneFormula:
C21H32O11Smiles:
CC1(C)C2CC1C(COC1OC(COC3OCC(O)(CO)C3O)C(O)C(O)C1O)=CC2=OAglycone:
CC1(C)C2CC1C(CO)=CC2=OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 460.48 | Num_heavy_atoms: | 32 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD50601
Formula: C10H14O2
Smiles:
CC1(C)C2CC1C(CO)=CC2=O| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 166.22 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
