Glycoside
GD019286
Name:
NoneFormula:
C38H39O6N7Cl2SSmiles:
Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc1)C2Aglycone:
Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCCOc1ccc(Nc3ncnc4c3N=C[N]4)cc1)C2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 5.36 | Num_rotatable_bonds: | 14 |
| MolWt: | 768.72 | Num_heavy_atoms: | 52 |
| TPSA: | 181.11 | NumAromaticRings: | 5 |
Unique Aglycone
AD13485
Formula: C33H30O2N7Cl2S
Smiles:
Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCCOc1ccc(Nc3ncnc4c3N=C[N]4)cc1)C2| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 7.31 | Num_rotatable_bonds: | 12 |
| MolWt: | 635.6 | Num_heavy_atoms: | 43 |
| TPSA: | 119.83 | NumAromaticRings: | 4 |
