Glycoside
GD003640
Name:
NoneFormula:
C20H27O4N5Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NC45CC6CC(CC(C6)C4)C5)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC23CC4CC(CC(C4)C2)C3)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 401.47 | Num_heavy_atoms: | 29 |
| TPSA: | 125.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD03285
Formula: C15H18N5
Smiles:
C1=Nc2c(ncnc2NC23CC4CC(CC(C4)C2)C3)[N]1| HBA: | 5 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 2.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.34 | Num_heavy_atoms: | 20 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
