Glycoside
GD121703
Name:
xyloneside aFormula:
C27H42O9Smiles:
CC(C=CC(C)C(C)(C)OC1OC(CO)C(O)C(O)C1O)C1CCC2C3=CC(=O)OC3(O)CCC21CAglycone:
CC(C=CC(C)C(C)(C)O)C1CCC2C3=CC(=O)OC3(O)CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.62 | Num_heavy_atoms: | 36 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD49004
Formula: C21H32O4
Smiles:
CC(C=CC(C)C(C)(C)O)C1CCC2C3=CC(=O)OC3(O)CCC21C| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.48 | Num_heavy_atoms: | 25 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
