Glycoside
GD025259
Name:
NoneFormula:
C31H35O4N7Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(NCCc4cn(Cc5cc(C)ccc5C)c5ccccc45)ncnc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Cc1ccc(C)c(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3ccccc32)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 9 |
| MolWt: | 569.67 | Num_heavy_atoms: | 42 |
| TPSA: | 139.35 | NumAromaticRings: | 5 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD02716
Formula: C24H23N6
Smiles:
Cc1ccc(C)c(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3ccccc32)c1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 395.49 | Num_heavy_atoms: | 30 |
| TPSA: | 69.2 | NumAromaticRings: | 4 |
