Glycoside
GD150895
Name:
lobophorin cr4Formula:
C52H76O15Smiles:
COC1C(O)CC(OC2C(O)CC(OC3CC(OC4C(C)CC(C)C5C4C=CC4C(C)=CCC(O)C(C)=CC6C=C(C)C(C)CC67OC(=O)C(=C7O)C(=O)C45C)OC(C)C3O)OC2C)OC1CAglycone:
CC1=CC2C=C(C)C(O)CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C2(CC1C)OC3=OSugarmoiety:
COC1C(O)CC(OC2C(O)CC(OC3CC(O)OC(C)C3O)OC2C)OC1COther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 5.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 941.17 | Num_heavy_atoms: | 67 |
| TPSA: | 209.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD57808
Formula: C33H44O6
Smiles:
CC1=CC2C=C(C)C(O)CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C2(CC1C)OC3=O| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | 5.38 | Num_rotatable_bonds: | 0 |
| MolWt: | 536.71 | Num_heavy_atoms: | 39 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
