Glycoside
GD033868
Name:
NoneFormula:
C58H72O14N6Cl4S2Smiles:
CCN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)C(O)C(O)C(=O)NCCOCCOCCOCCNS(=O)(=O)c3cccc(C4CN(CC)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1Aglycone:
CCN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCOCCN)c2)C1.CCN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCOCCN)c2)C1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 35 |
| MolWt: | 1235.14 | Num_heavy_atoms: | 80 |
| TPSA: | 252.86 | NumAromaticRings: | 4 |
Unique Aglycone
AD21590
Formula: C27H35O5N3Cl2S
Smiles:
CCN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCOCCN)c2)C1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 15 |
| MolWt: | 560.54 | Num_heavy_atoms: | 36 |
| TPSA: | 103.12 | NumAromaticRings: | 2 |
