Glycoside
GD124997
Name:
2-[(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)methyl]-5-pentyloxolane-3,4-diolFormula:
C18H26O5Smiles:
CCCCCC1OC(CC2OCc3c(O)cccc32)C(O)C1OAglycone:
CC1OCc2c(O)cccc21.CCCCCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 322.4 | Num_heavy_atoms: | 23 |
| TPSA: | 79.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD04334
Formula: C5H12
Smiles:
CCCCC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 72.15 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD50542
Formula: C9H10O2
Smiles:
CC1OCc2c(O)cccc21| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
