Glycoside
GD036981
Name:
NoneFormula:
C38H42O8N4Cl2SSmiles:
O=C(NC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c1ccc(OCc2cc(Cl)c(CN3CSC[C@H]3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)cc1Aglycone:
CNC(=O)c1ccc(OCc2cc(Cl)c(CN3CSCC3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)cc1Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 14 |
| MolWt: | 761.72 | Num_heavy_atoms: | 51 |
| TPSA: | 166.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD23320
Formula: C33H32O3N4Cl2S
Smiles:
CNC(=O)c1ccc(OCc2cc(Cl)c(CN3CSCC3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)cc1| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 5.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 611.6 | Num_heavy_atoms: | 41 |
| TPSA: | 65.12 | NumAromaticRings: | 3 |
