Glycoside
GD147584
Name:
2-({2-[5-(4-hydroxy-4-methylhexa-1,5-dien-1-yl)-5-methyloxolan-2-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H36O8Smiles:
C=CC(C)(O)CC=CC1(C)CCC(C(C)(C)OC2OC(CO)C(O)C(O)C2O)O1Aglycone:
C=CC(C)(O)CC=CC1(C)CCC(C(C)(C)O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 416.51 | Num_heavy_atoms: | 29 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD57412
Formula: C15H26O3
Smiles:
C=CC(C)(O)CC=CC1(C)CCC(C(C)(C)O)O1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 254.37 | Num_heavy_atoms: | 18 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
