Glycoside
GD005473
Name:
NoneFormula:
C25H22O4N6S2Smiles:
Cc1nc(-n2ncc3c(S[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)ncnc32)c2c3c(sc2n1)CCc1ccccc1-3Aglycone:
Cc1nc(-n2ncc3c(S)ncnc32)c2c3c(sc2n1)CCc1ccccc1-3Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 534.62 | Num_heavy_atoms: | 37 |
| TPSA: | 139.3 | NumAromaticRings: | 5 |
Unique Aglycone
AD04650
Formula: C20H14N6S2
Smiles:
Cc1nc(-n2ncc3c(S)ncnc32)c2c3c(sc2n1)CCc1ccccc1-3| HBA: | 6 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 402.51 | Num_heavy_atoms: | 28 |
| TPSA: | 69.38 | NumAromaticRings: | 5 |
