Glycoside
GD036984
Name:
NoneFormula:
C37H41O8N5Cl2SSmiles:
O=C(NC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c1ccc(COc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)nc1Aglycone:
CNC(=O)c1ccc(COc2cc(Cl)c(CN3CSCC3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)nc1Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 14 |
| MolWt: | 762.71 | Num_heavy_atoms: | 51 |
| TPSA: | 179.16 | NumAromaticRings: | 3 |
Unique Aglycone
AD23322
Formula: C32H31O3N5Cl2S
Smiles:
CNC(=O)c1ccc(COc2cc(Cl)c(CN3CSCC3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)nc1| HBA: | 8 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.37 |
| AlogP: | 5.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 612.58 | Num_heavy_atoms: | 41 |
| TPSA: | 78.01 | NumAromaticRings: | 3 |
