Glycoside
GD023474
Name:
NoneFormula:
C30H45O11SSmiles:
CC(=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H]2O)C(C)(C)[C@H]1CC3Aglycone:
CC(=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3.O=S(=O)([O-])OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 613.75 | Num_heavy_atoms: | 42 |
| TPSA: | 179.72 | NumAromaticRings: | 0 |
Unique Aglycone
AD00426
Formula: HO4S
Smiles:
O=S(=O)([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.07 | Num_heavy_atoms: | 5 |
| TPSA: | 77.43 | NumAromaticRings: | 0 |
AD04724
Formula: C24H38O2
Smiles:
CC(=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3| HBA: | 2 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 5.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 358.57 | Num_heavy_atoms: | 26 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
