Glycoside
GD138357
Name:
2-{[2-(3a-acetyl-3-hydroxy-7a-methyl-octahydro-1H-inden-5-yl)propan-2-yl]oxy}-4,5-dihydroxyoxan-3-yl acetateFormula:
C22H36O8Smiles:
CC(=O)OC1C(OC(C)(C)C2CCC3(C)CCC(O)C3(C(C)=O)C2)OCC(O)C1OAglycone:
CC(=O)C12CC(C(C)(C)O)CCC1(C)CCC2OSugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 428.52 | Num_heavy_atoms: | 30 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD52387
Formula: C15H26O3
Smiles:
CC(=O)C12CC(C(C)(C)O)CCC1(C)CCC2O| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 254.37 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
