Glycoside
GD127858
Name:
ilexpernoside bFormula:
C41H62O16Smiles:
C=C1C(O)C(O)CC2(C)C1CCC1(C)C2C2OC2C23OC(=O)C4(CCC12C)C(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CC(C)C(C)C43Aglycone:
C=C1C(O)C(O)CC2(C)C1CCC1(C)C2C2OC2C23OC(=O)C4(CCC12C)C(O)CC(C)C(C)C43Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 810.93 | Num_heavy_atoms: | 57 |
| TPSA: | 257.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD51786
Formula: C29H42O6
Smiles:
C=C1C(O)C(O)CC2(C)C1CCC1(C)C2C2OC2C23OC(=O)C4(CCC12C)C(O)CC(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 |
