Glycoside
GD143025
Name:
5-(4-cyclohexylbutoxy)-2-(1,4-dihydroxybutyl)-6-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4-diolFormula:
C28H44O7Smiles:
C=CCc1ccc(OC2OC(C(O)CCCO)C(O)C(O)C2OCCCCC2CCCCC2)cc1Aglycone:
C=CCc1ccc(O)cc1.OCCCCC1CCCCC1.OCCCCOSugarmoiety:
OCCCC(O)C(O)OOOOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 3.51 | Num_rotatable_bonds: | 14 |
| MolWt: | 492.65 | Num_heavy_atoms: | 35 |
| TPSA: | 108.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD00473
Formula: C9H10O
Smiles:
C=CCc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 134.18 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD09062
Formula: C4H10O2
Smiles:
OCCCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 90.12 | Num_heavy_atoms: | 6 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
AD24144
Formula: C10H20O
Smiles:
OCCCCC1CCCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 156.27 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
