Glycoside
GD101226
Name:
NoneFormula:
C21H24O5N6SSmiles:
O=C(c1cccc(Nc2[nH]c(=S)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1)N1CCCC1Aglycone:
O=C(c1cccc(Nc2[nH]c(=S)nc3c2N=C[N]3)c1)N1CCCC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 472.53 | Num_heavy_atoms: | 33 |
| TPSA: | 148.76 | NumAromaticRings: | 3 |
Unique Aglycone
AD42808
Formula: C16H15ON6S
Smiles:
O=C(c1cccc(Nc2[nH]c(=S)nc3c2N=C[N]3)c1)N1CCCC1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 339.4 | Num_heavy_atoms: | 24 |
| TPSA: | 87.48 | NumAromaticRings: | 2 |
