Glycoside
GD017582
Name:
POUOSIDE BFormula:
C40H64O12Smiles:
CC(=O)O[C@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)C(C)=C[C@H](O)CC=C(C)CC[C@@H]1C(C)(C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@]1(C)OC(C)=OAglycone:
CC(=O)OC(CC1C(C)=CCC(=O)C1(C)C)C(C)=CC(O)CC=C(C)CCC1C(C)(OC(C)=O)CCC(O)C1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | 4.24 | Num_rotatable_bonds: | 14 |
| MolWt: | 736.94 | Num_heavy_atoms: | 52 |
| TPSA: | 189.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD12534
Formula: C34H54O7
Smiles:
CC(=O)OC(CC1C(C)=CCC(=O)C1(C)C)C(C)=CC(O)CC=C(C)CCC1C(C)(OC(C)=O)CCC(O)C1(C)C| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.74 |
| AlogP: | 6.41 | Num_rotatable_bonds: | 11 |
| MolWt: | 574.8 | Num_heavy_atoms: | 41 |
| TPSA: | 110.13 | NumAromaticRings: | 0 |
