Glycoside
GD005583
Name:
NoneFormula:
C27H38O16SSmiles:
C[C@@H]1O[C@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@H](COS(=O)(=O)[O-])[C@H](O)[C@H](O[C@H](Cc3ccccc3)C(=O)[O-])[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)[O-].O=C([O-])C(O)Cc1ccccc1.OC1CCCCC1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | -3.17 | Num_rotatable_bonds: | 12 |
| MolWt: | 650.65 | Num_heavy_atoms: | 44 |
| TPSA: | 253.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD00489
Formula: C6H12O2
Smiles:
OC1CCCCC1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
AD00581
Formula: CH3O4S
Smiles:
COS(=O)(=O)[O-]| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.1 | Num_heavy_atoms: | 6 |
| TPSA: | 66.43 | NumAromaticRings: | 0 |
AD02554
Formula: C9H9O3
Smiles:
O=C([O-])C(O)Cc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 165.17 | Num_heavy_atoms: | 12 |
| TPSA: | 60.36 | NumAromaticRings: | 1 |
