Glycoside
GD029369
Name:
Stachyboside AFormula:
C29H42O10Smiles:
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@]12Cc1c(O)cc(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(C=O)c1O2Aglycone:
CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc(CO)c(C=O)c1O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 550.65 | Num_heavy_atoms: | 39 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD19108
Formula: C23H32O5
Smiles:
CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc(CO)c(C=O)c1O2| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 388.5 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
