Glycoside
GD004946
Name:
NoneFormula:
C21H26O6N4Smiles:
CCCCn1c(=O)c2c(ncn2C2O[C@H](CO)[C@H](O)[C@H]2O)n(Cc2ccccc2)c1=OAglycone:
CCCCn1c(=O)c2c(n(Cc3ccccc3)c1=O)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 430.46 | Num_heavy_atoms: | 31 |
| TPSA: | 131.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD04255
Formula: C16H17O2N4
Smiles:
CCCCn1c(=O)c2c(n(Cc3ccccc3)c1=O)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.31 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 297.34 | Num_heavy_atoms: | 22 |
| TPSA: | 70.46 | NumAromaticRings: | 2 |
