Glycoside
GD155237
Name:
Butyrolactol AFormula:
C28H46O9Smiles:
CC(CC=CC=CCCC=CC=CCCC(C)(C)C)C(O)C(O)C(O)C(O)C(O)C1OC(=O)C(O)C1OAglycone:
CCCC=CC=CCCC=CC=CCCC(C)(C)C.O=C1OCC(O)C1OSugarmoiety:
OC(O)C(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 15 |
| MolWt: | 526.67 | Num_heavy_atoms: | 37 |
| TPSA: | 167.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD13705
Formula: C4H6O4
Smiles:
O=C1OCC(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD61588
Formula: C19H32
Smiles:
CCCC=CC=CCCC=CC=CCCC(C)(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.58 |
| AlogP: | 6.62 | Num_rotatable_bonds: | 9 |
| MolWt: | 260.46 | Num_heavy_atoms: | 19 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
