Glycoside
GD125092
Name:
25-O-Ethylcimigenol 3-Beta-D-XylopyranosideFormula:
C37H60O9Smiles:
CCOC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(OC2OCC(O)C(O)C2O)C(C)(C)C5CCC4C1(C)C3OAglycone:
CCOC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 648.88 | Num_heavy_atoms: | 46 |
| TPSA: | 127.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD50583
Formula: C32H52O5
Smiles:
CCOC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O| HBA: | 5 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 5.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 516.76 | Num_heavy_atoms: | 37 |
| TPSA: | 68.15 | NumAromaticRings: | 0 |
