Glycoside
GD020959
Name:
NoneFormula:
C27H25O4N5SSmiles:
OC[C@@H]1OC(n2cnc3c(NCc4cccc5ccccc45)nc(Sc4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(Sc3ccccc3)nc2NCc2cccc3ccccc23)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 515.6 | Num_heavy_atoms: | 37 |
| TPSA: | 125.55 | NumAromaticRings: | 5 |
Unique Aglycone
AD14385
Formula: C22H16N5S
Smiles:
C1=Nc2c(nc(Sc3ccccc3)nc2NCc2cccc3ccccc23)[N]1| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 5.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 382.47 | Num_heavy_atoms: | 28 |
| TPSA: | 64.27 | NumAromaticRings: | 4 |
