Glycoside
GD072338
Name:
NoneFormula:
C13H19O10NSSmiles:
O=C(/C=C/c1ccoc1)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COS(O)(O)O.NC(=O)C=Cc1ccoc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 381.36 | Num_heavy_atoms: | 25 |
| TPSA: | 182.08 | 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 |
AD33791
Formula: C7H7O2N
Smiles:
NC(=O)C=Cc1ccoc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 137.14 | Num_heavy_atoms: | 10 |
| TPSA: | 56.23 | NumAromaticRings: | 1 |
