Glycoside
GD003006
Name:
NoneFormula:
C29H36O5N8Smiles:
O=C(NC1CC1)[C@@H]1OC(n2cnc3c(NCCc4cn(CCN5CCOCC5)c5ccccc45)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCCc2cn(CCN3CCOCC3)c3ccccc23)[N]1.O=CNC1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 10 |
| MolWt: | 576.66 | Num_heavy_atoms: | 42 |
| TPSA: | 151.82 | NumAromaticRings: | 4 |
Unique Aglycone
AD00527
Formula: C4H7ON
Smiles:
O=CNC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 85.11 | Num_heavy_atoms: | 6 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD02785
Formula: C21H24ON7
Smiles:
C1=Nc2c(ncnc2NCCc2cn(CCN3CCOCC3)c3ccccc23)[N]1| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 390.47 | Num_heavy_atoms: | 29 |
| TPSA: | 81.67 | NumAromaticRings: | 3 |
