Glycoside
GD072366
Name:
NoneFormula:
C12H19O10N3SSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1cc2n(n1)CCO2Aglycone:
COS(O)(O)O.NC(=O)c1cc2n(n1)CCO2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 397.36 | Num_heavy_atoms: | 26 |
| TPSA: | 195.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD26330
Formula: C6H7O2N3
Smiles:
NC(=O)c1cc2n(n1)CCO2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 153.14 | Num_heavy_atoms: | 11 |
| TPSA: | 70.14 | NumAromaticRings: | 1 |
