Glycoside
GD101526
Name:
NoneFormula:
C21H23O6N5SSmiles:
COC(=O)C1(c2ccc(Nc3[nH]c(=S)nc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)CC1Aglycone:
COC(=O)C1(c2ccc(Nc3[nH]c(=S)nc4c3N=C[N]4)cc2)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 473.51 | Num_heavy_atoms: | 33 |
| TPSA: | 154.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD42977
Formula: C16H14O2N5S
Smiles:
COC(=O)C1(c2ccc(Nc3[nH]c(=S)nc4c3N=C[N]4)cc2)CC1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 340.39 | Num_heavy_atoms: | 24 |
| TPSA: | 93.47 | NumAromaticRings: | 2 |
