Glycoside
GD092585
Name:
NoneFormula:
C16H19O7N5SSmiles:
CC(=O)O[C@@H]1CO[C@H](n2cnc3c(=S)[nH]c(N)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
Nc1nc2c(c(=S)[nH]1)N=C[N]2Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 425.42 | Num_heavy_atoms: | 29 |
| TPSA: | 160.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD03762
Formula: C5H4N5S
Smiles:
Nc1nc2c(c(=S)[nH]1)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 166.19 | Num_heavy_atoms: | 11 |
| TPSA: | 81.16 | NumAromaticRings: | 1 |
