Glycoside
GD083811
Name:
NoneFormula:
C18H30O8NSSmiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)[C@H]1OAglycone:
COS(O)(O)O.[NH3+]C1CCCC(c2ccccc2)C1Sugarmoiety:
OC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.67 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.5 | Num_heavy_atoms: | 28 |
| TPSA: | 156.45 | 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 |
AD37364
Formula: C12H18N
Smiles:
[NH3+]C1CCCC(c2ccccc2)C1| HBA: | 1 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.28 | Num_heavy_atoms: | 13 |
| TPSA: | 27.64 | NumAromaticRings: | 1 |
