Glycoside
GD138701
Name:
2-{[6-(3-hydroxybut-1-en-1-yl)-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C24H40O12Smiles:
CC(O)C=CC12OC1(C)CC(OC1OC(COC3OCC(O)C(O)C3O)C(O)C(O)C1O)CC2(C)CAglycone:
CC(O)C=CC12OC1(C)CC(O)CC2(C)CSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.92 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 520.57 | Num_heavy_atoms: | 36 |
| TPSA: | 191.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD11477
Formula: C13H22O3
Smiles:
CC(O)C=CC12OC1(C)CC(O)CC2(C)C| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.32 | Num_heavy_atoms: | 16 |
| TPSA: | 52.99 | NumAromaticRings: | 0 |
