Glycoside
GD131245
Name:
5-(3-hydroxy-3-methylpent-4-en-1-yl)-1,4a,6-trimethyl-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,8,8a-octahydronaphthalene-1-carbaldehydeFormula:
C25H40O7Smiles:
C=CC(C)(O)CCC1C(C)=CC(OC2OCC(O)C(O)C2O)C2C(C)(C=O)CCCC12CAglycone:
C=CC(C)(O)CCC1C(C)=CC(O)C2C(C)(C=O)CCCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 452.59 | Num_heavy_atoms: | 32 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD48496
Formula: C20H32O3
Smiles:
C=CC(C)(O)CCC1C(C)=CC(O)C2C(C)(C=O)CCCC12C| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 320.47 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
