Glycoside
GD022130
Name:
Stachyboside BFormula:
C29H42O11Smiles:
C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[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)C(O)CC2(C)C12Cc1c(O)cc(CO)c(C=O)c1O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 566.64 | Num_heavy_atoms: | 40 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD15038
Formula: C23H32O6
Smiles:
CC1CCC2C(C)(C)C(O)C(O)CC2(C)C12Cc1c(O)cc(CO)c(C=O)c1O2| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 107.22 | NumAromaticRings: | 1 |
