Glycoside
GD087001
Name:
NoneFormula:
C17H26O9N2SSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)[C@@H]1CCN1Cc1ccccc1Aglycone:
COS(O)(O)O.NC(=O)C1CCN1Cc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 434.47 | Num_heavy_atoms: | 29 |
| TPSA: | 172.18 | 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 |
AD30901
Formula: C11H14ON2
Smiles:
NC(=O)C1CCN1Cc1ccccc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.25 | Num_heavy_atoms: | 14 |
| TPSA: | 46.33 | NumAromaticRings: | 1 |
