Glycoside
GD123486
Name:
2-(1,4-dihydroxybutyl)-5-(3-hydroxypropyl)-5-(pentyloxy)-6-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4-diolFormula:
C26H42O8Smiles:
C=CCc1ccc(OC2OC(C(O)CCCO)C(O)C(O)C2(CCCO)OCCCCC)cc1Aglycone:
C=CCc1ccc(O)cc1.CCCCCO.OCCCCOSugarmoiety:
OCCCC1(O)C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 16 |
| MolWt: | 482.61 | Num_heavy_atoms: | 34 |
| 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 |
AD07311
Formula: C5H12O
Smiles:
CCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 88.15 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
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 |
