Glycoside
GD033154
Name:
NoneFormula:
C21H32O4N6SSmiles:
OC[C@@H]1O[C@H](n2cnc3c(NCCCCCCCCCCN=C=S)ncnc32)[C@H](O)[C@H]1OAglycone:
S=C=NCCCCCCCCCCNc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 14 |
| MolWt: | 464.59 | Num_heavy_atoms: | 32 |
| TPSA: | 137.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD21184
Formula: C16H23N6S
Smiles:
S=C=NCCCCCCCCCCNc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 12 |
| MolWt: | 331.47 | Num_heavy_atoms: | 23 |
| TPSA: | 76.63 | NumAromaticRings: | 1 |
