Glycoside
GD143063
Name:
2-(1,4-dihydroxybutyl)-5-[(1-hydroxyheptan-3-yl)oxy]-6-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4-diolFormula:
C25H40O8Smiles:
C=CCc1ccc(OC2OC(C(O)CCCO)C(O)C(O)C2OC(CCO)CCCC)cc1Aglycone:
C=CCc1ccc(O)cc1.CCCCC(O)CCO.OCCCCOSugarmoiety:
OCCCC(O)C(O)OOOOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 15 |
| MolWt: | 468.59 | Num_heavy_atoms: | 33 |
| TPSA: | 128.84 | 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 |
AD57553
Formula: C7H16O2
Smiles:
CCCCC(O)CCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 132.2 | Num_heavy_atoms: | 9 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
