Glycoside
GD031808
Name:
NoneFormula:
C56H68O14N6Cl4S2Smiles:
CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)C(O)C(O)C(=O)NCCOCCOCCOCCNS(=O)(=O)c3ccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)cc3)cc2)C1Aglycone:
CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCCOCCOCCOCCN)cc2)C1.CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCCOCCOCCOCCN)cc2)C1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 33 |
| MolWt: | 1207.09 | Num_heavy_atoms: | 78 |
| TPSA: | 252.86 | NumAromaticRings: | 4 |
Unique Aglycone
AD05092
Formula: C26H33O5N3Cl2S
Smiles:
CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(S(=O)(=O)NCCOCCOCCOCCN)cc2)C1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 14 |
| MolWt: | 546.52 | Num_heavy_atoms: | 35 |
| TPSA: | 103.12 | NumAromaticRings: | 2 |
