Glycoside
GD148604
Name:
2-(1,4-dihydroxybutyl)-5-[5-hydroxy-2-(hydroxymethyl)pentyl]-5-(pentyloxy)-6-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4-diolFormula:
C29H48O9Smiles:
C=CCc1ccc(OC2OC(C(O)CCCO)C(O)C(O)C2(CC(CO)CCCO)OCCCCC)cc1Aglycone:
C=CCc1ccc(O)cc1.CC(CO)CCCO.CCCCCO.OCCCCOSugarmoiety:
OCCCO.OOC(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.72 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 19 |
| MolWt: | 540.69 | Num_heavy_atoms: | 38 |
| TPSA: | 149.07 | 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 |
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 |
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 |
