Glycoside
GD022550
Name:
POUOSIDE GFormula:
C40H64O13Smiles:
CC(=O)O[C@H](C[C@@H]1C(C)(C)C(=O)C=C[C@]1(C)O)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)(O)C=CC(=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: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 14 |
| MolWt: | 752.94 | Num_heavy_atoms: | 53 |
| TPSA: | 209.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD15271
Formula: C34H54O8
Smiles:
CC(=O)OC(CC1C(C)(O)C=CC(=O)C1(C)C)C(C)=CC(O)CC=C(C)CCC1C(C)(OC(C)=O)CCC(O)C1(C)C| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 5.38 | Num_rotatable_bonds: | 11 |
| MolWt: | 590.8 | Num_heavy_atoms: | 42 |
| TPSA: | 130.36 | NumAromaticRings: | 0 |
