Glycoside
GD136303
Name:
2-[(4-{3-[4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]-3-methyloxiran-2-yl}-2-methylbut-3-en-2-yl)oxy]oxane-3,4,5-triolFormula:
C25H40O6Smiles:
C=CC1(C)CCC(C2(C)OC2C=CC(C)(C)OC2OCC(O)C(O)C2O)CC1C(=C)CAglycone:
C=CC1(C)CCC(C2(C)OC2C=CC(C)(C)O)CC1C(=C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.76 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 436.59 | Num_heavy_atoms: | 31 |
| TPSA: | 91.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD55091
Formula: C20H32O2
Smiles:
C=CC1(C)CCC(C2(C)OC2C=CC(C)(C)O)CC1C(=C)C| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 304.47 | Num_heavy_atoms: | 22 |
| TPSA: | 32.76 | NumAromaticRings: | 0 |
