Glycoside
GD142476
Name:
Butyrolactol BFormula:
C27H44O9Smiles:
CC(C)CCC=CC=CCCC=CC=CCC(C)C(O)C(O)C(O)C(O)C(O)C1OC(=O)C(O)C1OAglycone:
CCCC=CC=CCCC=CC=CCCC(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: | 0.67 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 16 |
| MolWt: | 512.64 | Num_heavy_atoms: | 36 |
| 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 |
AD57332
Formula: C18H30
Smiles:
CCCC=CC=CCCC=CC=CCCC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.56 |
| AlogP: | 6.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 246.44 | Num_heavy_atoms: | 18 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
