Glycoside
GD001940
Name:
POUOSIDE IFormula:
C40H62O11Smiles:
C=C1CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@H]1CCC(C)=CC[C@H](C=C(C)[C@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)OC(C)=O)OC(C)=OAglycone:
C=C1CCC(O)C(C)(C)C1CCC(C)=CCC(C=C(C)C(CC1C(C)=CCC(=O)C1(C)C)OC(C)=O)OC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | 5.04 | Num_rotatable_bonds: | 14 |
| MolWt: | 718.93 | Num_heavy_atoms: | 51 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD01889
Formula: C34H52O6
Smiles:
C=C1CCC(O)C(C)(C)C1CCC(C)=CCC(C=C(C)C(CC1C(C)=CCC(=O)C1(C)C)OC(C)=O)OC(C)=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | 7.22 | Num_rotatable_bonds: | 11 |
| MolWt: | 556.78 | Num_heavy_atoms: | 40 |
| TPSA: | 89.9 | NumAromaticRings: | 0 |
