Glycoside
GD015135
Name:
NoneFormula:
C19H33O17NSSmiles:
CC(=O)N[C@@H]1CO[C@H](CO)[C@H](O[C@@H]2O[C@H](O)[C@H](OS(=O)(=O)O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(=O)NC1COC(CO)C(O)C1O.O=S(=O)(O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | -5.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 579.53 | Num_heavy_atoms: | 38 |
| TPSA: | 280.46 | 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 |
AD09299
Formula: C8H15O5N
Smiles:
CC(=O)NC1COC(CO)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 205.21 | Num_heavy_atoms: | 14 |
| TPSA: | 99.02 | NumAromaticRings: | 0 |
