Glycoside
GD018182
Name:
NoneFormula:
C31H36O9N4SSmiles:
CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(OC4OC(CO)C(O)C(O)C4NC(C)=O)cccc23)c(OC)c1Aglycone:
CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(O)cccc23)c(OC)c1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 640.72 | Num_heavy_atoms: | 45 |
| TPSA: | 188.57 | NumAromaticRings: | 4 |
Unique Aglycone
AD12875
Formula: C23H23O4N3S
Smiles:
CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(O)cccc23)c(OC)c1| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 5.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 437.52 | Num_heavy_atoms: | 31 |
| TPSA: | 100.55 | NumAromaticRings: | 4 |
