Glycoside
GD033576
Name:
NoneFormula:
C28H38O4N8S2Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NCCCCCCCCCCNC(=S)Nc4ccc(N=C=S)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
S=C=Nc1ccc(NC(=S)NCCCCCCCCCCNc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 16 |
| MolWt: | 614.8 | Num_heavy_atoms: | 42 |
| TPSA: | 161.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD21418
Formula: C23H29N8S2
Smiles:
S=C=Nc1ccc(NC(=S)NCCCCCCCCCCNc2ncnc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 14 |
| MolWt: | 481.68 | Num_heavy_atoms: | 33 |
| TPSA: | 100.69 | NumAromaticRings: | 2 |
