Glycoside
GD078290
Name:
NoneFormula:
C16H21O4N5SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NC4=CCCCC4)[nH]c(=S)nc32)[C@H](O)[C@@H]1OAglycone:
S=c1nc2c(c(NC3=CCCCC3)[nH]1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 379.44 | Num_heavy_atoms: | 26 |
| TPSA: | 128.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD35930
Formula: C11H12N5S
Smiles:
S=c1nc2c(c(NC3=CCCCC3)[nH]1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.32 | Num_heavy_atoms: | 17 |
| TPSA: | 67.17 | NumAromaticRings: | 1 |
