Glycoside
GD005671
Name:
NoneFormula:
C20H21O6N3SSmiles:
COC(=O)c1ccc(CSc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
COC(=O)c1ccc(CSc2ncnc3c2C=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 431.47 | Num_heavy_atoms: | 30 |
| TPSA: | 126.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD04780
Formula: C15H12O2N3S
Smiles:
COC(=O)c1ccc(CSc2ncnc3c2C=C[N]3)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.13 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 298.35 | Num_heavy_atoms: | 21 |
| TPSA: | 66.18 | NumAromaticRings: | 2 |
