Glycoside
GD068591
Name:
NoneFormula:
C16H21O5N3SSmiles:
OC[C@H]1O[C@H](O)[C@H](Nc2ncnc3sc4c(c23)CCCC4)[C@@H](O)[C@@H]1OAglycone:
Nc1ncnc2sc3c(c12)CCCC3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 367.43 | Num_heavy_atoms: | 25 |
| TPSA: | 127.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD32505
Formula: C10H11N3S
Smiles:
Nc1ncnc2sc3c(c12)CCCC3| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 205.29 | Num_heavy_atoms: | 14 |
| TPSA: | 51.8 | NumAromaticRings: | 2 |
