Glycoside
GD095382
Name:
NoneFormula:
C18H22O8N4SSmiles:
CN1Cc2c(C(=O)N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)ncn2-c2ccccc2S1(=O)=OAglycone:
CN1Cc2c(C(N)=O)ncn2-c2ccccc2S1(=O)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -2.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 454.46 | Num_heavy_atoms: | 31 |
| TPSA: | 174.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD40711
Formula: C12H12O3N4S
Smiles:
CN1Cc2c(C(N)=O)ncn2-c2ccccc2S1(=O)=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 292.32 | Num_heavy_atoms: | 20 |
| TPSA: | 98.29 | NumAromaticRings: | 2 |
