Glycoside
GD003448
Name:
NoneFormula:
C36H35O6N7Cl2SSmiles:
Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)cc1)C2Aglycone:
Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCOc1ccc(Nc3ncnc4c3N=C[N]4)cc1)C2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 12 |
| MolWt: | 740.67 | Num_heavy_atoms: | 50 |
| TPSA: | 181.11 | NumAromaticRings: | 5 |
Unique Aglycone
AD03141
Formula: C31H26O2N7Cl2S
Smiles:
Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCOc1ccc(Nc3ncnc4c3N=C[N]4)cc1)C2| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 6.53 | Num_rotatable_bonds: | 10 |
| MolWt: | 607.55 | Num_heavy_atoms: | 41 |
| TPSA: | 119.83 | NumAromaticRings: | 4 |
