Glycoside
GD155880
Name:
ilexpernoside aFormula:
C35H52O11Smiles:
C=C1C(O)C(O)CC2(C)C1CCC1(C)C2C2OC2C23OC(=O)C4(CCC12C)CC(OC1OC(CO)C(O)C(O)C1O)C(C)C(C)C43Aglycone:
C=C1C(O)C(O)CC2(C)C1CCC1(C)C2C2OC2C23OC(=O)C4(CCC12C)CC(O)C(C)C(C)C43Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.91 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 648.79 | Num_heavy_atoms: | 46 |
| TPSA: | 178.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD61778
Formula: C29H42O6
Smiles:
C=C1C(O)C(O)CC2(C)C1CCC1(C)C2C2OC2C23OC(=O)C4(CCC12C)CC(O)C(C)C(C)C43| HBA: | 6 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 486.65 | Num_heavy_atoms: | 35 |
| TPSA: | 99.52 | NumAromaticRings: | 0 |
