Glycoside
GD029145
Name:
NoneFormula:
C25H27O4N5SSmiles:
OC[C@@H]1O[C@H](n2cnc3c(NCCc4ccccc4)nc(SCc4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(SCc3ccccc3)nc2NCCc2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 493.59 | Num_heavy_atoms: | 35 |
| TPSA: | 125.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD18996
Formula: C20H18N5S
Smiles:
C1=Nc2c(nc(SCc3ccccc3)nc2NCCc2ccccc2)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 360.47 | Num_heavy_atoms: | 26 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
