Glycoside
GD006062
Name:
NoneFormula:
C52H60O12N6Cl4S2Smiles:
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)[C@@H](O)[C@@H](O)C(=O)NCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1Aglycone:
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCN)c2)C1.CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCN)c2)C1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 3.73 | Num_rotatable_bonds: | 27 |
| MolWt: | 1118.98 | Num_heavy_atoms: | 72 |
| TPSA: | 234.4 | NumAromaticRings: | 4 |
Unique Aglycone
AD05052
Formula: C24H29O4N3Cl2S
Smiles:
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCN)c2)C1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 11 |
| MolWt: | 502.46 | Num_heavy_atoms: | 32 |
| TPSA: | 93.89 | NumAromaticRings: | 2 |
