Glycoside
GD021195
Name:
NoneFormula:
C31H33O4N7Smiles:
Cc1ccccc1Cn1cc(CCNc2ncnc3c2ncn3C2O[C@H](C(=O)NC3CC3)[C@H](O)[C@H]2O)c2ccccc21Aglycone:
Cc1ccccc1Cn1cc(CCNc2ncnc3c2N=C[N]3)c2ccccc21.O=CNC1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 567.65 | Num_heavy_atoms: | 42 |
| TPSA: | 139.35 | 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 |
AD14520
Formula: C23H21N6
Smiles:
Cc1ccccc1Cn1cc(CCNc2ncnc3c2N=C[N]3)c2ccccc21| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 381.46 | Num_heavy_atoms: | 29 |
| TPSA: | 69.2 | NumAromaticRings: | 4 |
