Glycoside
GD096548
Name:
NoneFormula:
C19H21O10NSSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1ccc2oc3ccccc3c2c1Aglycone:
COS(O)(O)O.NC(=O)c1ccc2oc3ccccc3c2c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 455.44 | Num_heavy_atoms: | 31 |
| TPSA: | 182.08 | NumAromaticRings: | 3 |
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 |
AD41049
Formula: C13H9O2N
Smiles:
NC(=O)c1ccc2oc3ccccc3c2c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 1 |
| MolWt: | 211.22 | Num_heavy_atoms: | 16 |
| TPSA: | 56.23 | NumAromaticRings: | 3 |
