Glycoside
GD028578
Name:
NoneFormula:
C27H45O9SSmiles:
CO[C@H]1O[C@@H](OC)[C@](O)(CC[C@@H]2C(=COS(=O)(=O)[O-])CC[C@H]3[C@]2(C)CC[C@@H]2C(C)(C)CCC[C@]23C)[C@H]1OAglycone:
CCC1C(=COS(=O)(=O)[O-])CCC2C1(C)CCC1C(C)(C)CCCC12CSugarmoiety:
COC1OC(OC)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 545.72 | Num_heavy_atoms: | 37 |
| TPSA: | 134.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD18659
Formula: C21H35O4S
Smiles:
CCC1C(=COS(=O)(=O)[O-])CCC2C1(C)CCC1C(C)(C)CCCC12C| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.9 |
| AlogP: | 5.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 383.57 | Num_heavy_atoms: | 26 |
| TPSA: | 66.43 | NumAromaticRings: | 0 |
