Glycoside
GD117840
Name:
2-[(10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-1-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C27H46O11Smiles:
C=CC(C)(O)CCC=C(C)CCC=C(C)COC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)CCC=C(C)COSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.78 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 13 |
| MolWt: | 546.65 | Num_heavy_atoms: | 38 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD16875
Formula: C15H26O2
Smiles:
C=CC(C)(O)CCC=C(C)CCC=C(C)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 238.37 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
