Glycoside
GD090730
Name:
NoneFormula:
C18H19O6N5SSmiles:
O=C(Nc1ncnc2c1[nH]c(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[C@@H]1C[C@@H]1c1cccs1Aglycone:
O=C(Nc1ncnc2[nH]c(=O)[nH]c12)C1CC1c1cccs1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 433.45 | Num_heavy_atoms: | 30 |
| TPSA: | 162.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD39495
Formula: C13H11O2N5S
Smiles:
O=C(Nc1ncnc2[nH]c(=O)[nH]c12)C1CC1c1cccs1| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.23 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 301.33 | Num_heavy_atoms: | 21 |
| TPSA: | 103.53 | NumAromaticRings: | 3 |
