Glycoside
GD124989
Name:
2-[(3,11-dihydroxy-3,7,11-trimethyldodeca-1,6,9-trien-5-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H36O8Smiles:
C=CC(C)(O)CC(C=C(C)CC=CC(C)(C)O)OC1OC(CO)C(O)C(O)C1OAglycone:
C=CC(C)(O)CC(O)C=C(C)CC=CC(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 10 |
| MolWt: | 416.51 | Num_heavy_atoms: | 29 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD50538
Formula: C15H26O3
Smiles:
C=CC(C)(O)CC(O)C=C(C)CC=CC(C)(C)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 254.37 | Num_heavy_atoms: | 18 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
