Glycoside
GD126945
Name:
5-[2,5-bis(hydroxymethyl)-5,8a-dimethyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-methylpent-2-enalFormula:
C25H40O8Smiles:
CC(=CC=O)CCC1C(CO)=CC(OC2OCC(O)C(O)C2O)C2C(C)(CO)CCCC12CAglycone:
CC(=CC=O)CCC1C(CO)=CC(O)C2C(C)(CO)CCCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 468.59 | Num_heavy_atoms: | 33 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD51385
Formula: C20H32O4
Smiles:
CC(=CC=O)CCC1C(CO)=CC(O)C2C(C)(CO)CCCC12C| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 336.47 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
