Glycoside
GD116761
Name:
5-[(2-benzylpentyl)oxy]-2-(1,4-dihydroxybutyl)-6-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4-diolFormula:
C30H42O7Smiles:
C=CCc1ccc(OC2OC(C(O)CCCO)C(O)C(O)C2OCC(CCC)Cc2ccccc2)cc1Aglycone:
C=CCc1ccc(O)cc1.CCCC(CO)Cc1ccccc1.OCCCCOSugarmoiety:
OCCCC(O)C(O)OOOOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 15 |
| MolWt: | 514.66 | Num_heavy_atoms: | 37 |
| TPSA: | 108.61 | 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 |
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 |
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 |
