Glycoside
GD135700
Name:
5-[(2-benzylpentyl)oxy]-2-(hydroxymethyl)-6-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4-diolFormula:
C27H36O6Smiles:
C=CCc1ccc(OC2OC(CO)C(O)C(O)C2OCC(CCC)Cc2ccccc2)cc1Aglycone:
C=CCc1ccc(O)cc1.CCCC(CO)Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 12 |
| MolWt: | 456.58 | Num_heavy_atoms: | 33 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
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 |
AD46436
Formula: C12H18O
Smiles:
CCCC(CO)Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 178.28 | Num_heavy_atoms: | 13 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
