Glycoside
GD007868
Name:
NoneFormula:
C26H31O5N7Smiles:
COCCn1cc(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](C(=O)NC3CC3)[C@H](O)[C@H]2O)c2ccccc21Aglycone:
COCCn1cc(CCNc2ncnc3c2N=C[N]3)c2ccccc21.O=CNC1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 521.58 | Num_heavy_atoms: | 38 |
| TPSA: | 148.58 | 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 |
AD06360
Formula: C18H19ON6
Smiles:
COCCn1cc(CCNc2ncnc3c2N=C[N]3)c2ccccc21| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 335.39 | Num_heavy_atoms: | 25 |
| TPSA: | 78.43 | NumAromaticRings: | 3 |
