Glycoside
GD019400
Name:
NoneFormula:
C23H26O4N6S2Smiles:
COc1ccc2sc(SC[C@@H]3OC(n4cnc5c(NC6CCCC6)ncnc54)[C@H](O)[C@H]3O)nc2c1Aglycone:
C1=Nc2c(ncnc2NC2CCCC2)[N]1.COc1ccc2sc(SC)nc2c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 514.63 | Num_heavy_atoms: | 35 |
| TPSA: | 127.44 | NumAromaticRings: | 4 |
Unique Aglycone
AD00959
Formula: C10H12N5
Smiles:
C1=Nc2c(ncnc2NC2CCCC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 202.24 | Num_heavy_atoms: | 15 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD13546
Formula: C9H9ONS2
Smiles:
COc1ccc2sc(SC)nc2c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 211.31 | Num_heavy_atoms: | 13 |
| TPSA: | 22.12 | NumAromaticRings: | 2 |
