Glycoside
GD035654
Name:
NoneFormula:
C48H52O10N6Cl4S2Smiles:
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCNC(=O)C(O)C(O)C(=O)NCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1Aglycone:
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCN)c2)C1.CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCN)c2)C1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 21 |
| MolWt: | 1030.88 | Num_heavy_atoms: | 66 |
| TPSA: | 215.94 | NumAromaticRings: | 4 |
Unique Aglycone
AD22550
Formula: C22H25O3N3Cl2S
Smiles:
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCN)c2)C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 458.41 | Num_heavy_atoms: | 29 |
| TPSA: | 84.66 | NumAromaticRings: | 2 |
