Glycoside
GD006549
Name:
NoneFormula:
C26H42O22S2Smiles:
O=S(=O)(O)C[C@@H]1C(O[C@@H]2C(O)[C@H](C[C@@H]3[C@@H]4CO[C@H]3[C@H](O)CO4)O[C@H](CO)[C@H]2OS(=O)(=O)O)O[C@@H]2CO[C@H]1[C@H]2OC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC1C2COC1C(O)CO2.O=S(=O)(O)CC1C(O)OC2COC1C2O.O=S(=O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -6.34 | Num_rotatable_bonds: | 12 |
| MolWt: | 770.73 | Num_heavy_atoms: | 50 |
| TPSA: | 333.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD05410
Formula: C7H12O3
Smiles:
CC1C2COC1C(O)CO2| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 144.17 | Num_heavy_atoms: | 10 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
AD05411
Formula: C7H12O7S
Smiles:
O=S(=O)(O)CC1C(O)OC2COC1C2O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.23 | Num_heavy_atoms: | 15 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
