Glycoside
GD134284
Name:
6-(1,4-dihydroxybutyl)-3-[5-hydroxy-2-(hydroxymethyl)pentyl]-2-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triolFormula:
C24H38O9Smiles:
C=CCc1ccc(OC2OC(C(O)CCCO)C(O)C(O)C2(O)CC(CO)CCCO)cc1Aglycone:
C=CCc1ccc(O)cc1.CC(CO)CCCO.OCCCCOSugarmoiety:
OC1OC(O)C(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 14 |
| MolWt: | 470.56 | Num_heavy_atoms: | 33 |
| TPSA: | 160.07 | 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 |
AD54329
Formula: C6H14O2
Smiles:
CC(CO)CCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 118.18 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
