Glycoside
GD089372
Name:
NoneFormula:
C17H27O8N4SSmiles:
O[C@@H]1[C@@H](COS(O)(O)O)O[C@H](O)[C@H](Nc2[nH+]cnc3c2ccn3C2CCCC2)[C@H]1OAglycone:
COS(O)(O)O.Nc1[nH+]cnc2c1ccn2C1CCCC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 447.49 | Num_heavy_atoms: | 30 |
| TPSA: | 183.83 | NumAromaticRings: | 2 |
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 |
AD38988
Formula: C11H15N4
Smiles:
Nc1[nH+]cnc2c1ccn2C1CCCC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 203.27 | Num_heavy_atoms: | 15 |
| TPSA: | 57.98 | NumAromaticRings: | 2 |
