Glycoside
GD008399
Name:
NoneFormula:
C22H35O15N3SSmiles:
CC(C)O[C@@H]1[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H](COS(=O)(=O)NC(=O)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1OC(C)CAglycone:
COS(=O)(=O)NC(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
CC(C)OC1C(O)OC(O)C1OC(C)C.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | -3.19 | Num_rotatable_bonds: | 11 |
| MolWt: | 613.6 | Num_heavy_atoms: | 41 |
| TPSA: | 254.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD06710
Formula: C2H5O5NS
Smiles:
COS(=O)(=O)NC(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 155.13 | Num_heavy_atoms: | 9 |
| TPSA: | 92.7 | NumAromaticRings: | 0 |
