Glycoside
GD148386
Name:
NoneFormula:
C24H26O11N3Cl3SSmiles:
CCCN(CCOc1c(Cl)cc(Cl)c(OC2OC(COS(=O)(=O)O)C(O)C(O)C2O)c1Cl)C(=O)n1ccnc1Aglycone:
CCCN(CCOc1c(Cl)cc(Cl)c(O)c1Cl)C(=O)n1ccnc1.COS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 634.88 | Num_heavy_atoms: | 39 |
| TPSA: | 190.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD00053
Formula: CH4O4S
Smiles:
COS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.11 | Num_heavy_atoms: | 6 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD59380
Formula: C18H16O3N3Cl3
Smiles:
CCCN(CCOc1c(Cl)cc(Cl)c(O)c1Cl)C(=O)n1ccnc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 4.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 392.67 | Num_heavy_atoms: | 24 |
| TPSA: | 67.59 | NumAromaticRings: | 2 |
