Glycoside
GD002953
Name:
NoneFormula:
C30H38O4N8Smiles:
O=C(NC1CC1)[C@@H]1OC(n2cnc3c(NCCc4cn(CCN5CCCCC5)c5ccccc45)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCCc2cn(CCN3CCCCC3)c3ccccc23)[N]1.O=CNC1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 10 |
| MolWt: | 574.69 | Num_heavy_atoms: | 42 |
| TPSA: | 142.59 | 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 |
AD02748
Formula: C22H26N7
Smiles:
C1=Nc2c(ncnc2NCCc2cn(CCN3CCCCC3)c3ccccc23)[N]1| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 388.5 | Num_heavy_atoms: | 29 |
| TPSA: | 72.44 | NumAromaticRings: | 3 |
