Glycoside
GD027461
Name:
POUOSIDE FFormula:
C38H62O11Smiles:
CC(=O)O[C@@]1(C)CC[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](O)C=C(C)[C@H](O)C[C@@H]1C(C)=CCC(=O)C1(C)CAglycone:
CC(=O)OC1(C)CCC(O)C(C)(C)C1CCC(C)=CCC(O)C=C(C)C(O)CC1C(C)=CCC(=O)C1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 13 |
| MolWt: | 694.9 | Num_heavy_atoms: | 49 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD18049
Formula: C32H52O6
Smiles:
CC(=O)OC1(C)CCC(O)C(C)(C)C1CCC(C)=CCC(O)C=C(C)C(O)CC1C(C)=CCC(=O)C1(C)C| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 5.84 | Num_rotatable_bonds: | 10 |
| MolWt: | 532.76 | Num_heavy_atoms: | 38 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
