Glycoside
GD025065
Name:
NoneFormula:
C31H33O5N7Smiles:
COc1ccc(Cn2cc(CCNc3ncnc4c3ncn4C3O[C@H](C(=O)NC4CC4)[C@H](O)[C@H]3O)c3ccccc32)cc1Aglycone:
COc1ccc(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3ccccc32)cc1.O=CNC1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 10 |
| MolWt: | 583.65 | Num_heavy_atoms: | 43 |
| TPSA: | 148.58 | NumAromaticRings: | 5 |
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 |
AD16665
Formula: C23H21ON6
Smiles:
COc1ccc(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3ccccc32)cc1| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 397.46 | Num_heavy_atoms: | 30 |
| TPSA: | 78.43 | NumAromaticRings: | 4 |
