Glycoside
GD131370
Name:
5-(1″,3″-Dimethyl-2″-Hydroxyl-Butyl)-2-En-2-Methyl-3-Rhamnosyl-Δ-ValerolactoneFormula:
C18H30O8Smiles:
CC1=C(OC2OC(C)C(O)C(O)C2O)CC(C(C)C(O)C(C)C)OC1=OAglycone:
CC1=C(O)CC(C(C)C(O)C(C)C)OC1=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 374.43 | Num_heavy_atoms: | 26 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD53226
Formula: C12H20O4
Smiles:
CC1=C(O)CC(C(C)C(O)C(C)C)OC1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 228.29 | Num_heavy_atoms: | 16 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
