Glycoside
GD146376
Name:
2-(hydroxymethyl)-6-{[4-(2,2,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-yl]oxy}oxane-3,4,5-triolFormula:
C25H42O13Smiles:
CC(C=CC12OC1(C)CC(OC1OC(CO)C(O)C(O)C1O)CC2(C)C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(O)C=CC12OC1(C)CC(O)CC2(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -2.72 | Num_rotatable_bonds: | 8 |
| MolWt: | 550.6 | Num_heavy_atoms: | 38 |
| TPSA: | 211.29 | 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 |
