Glycoside
GD104321
Name:
NoneFormula:
C22H26O7N5ClSmiles:
CC(=O)O[C@@H]1CO[C@H](n2cnc3c(N4CCCCC4)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
Clc1nc2c(c(N3CCCCC3)n1)N=C[N]2Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.62 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 495.92 | Num_heavy_atoms: | 34 |
| TPSA: | 134.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD43984
Formula: C11H11N5Cl
Smiles:
Clc1nc2c(c(N3CCCCC3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 236.69 | Num_heavy_atoms: | 16 |
| TPSA: | 55.48 | NumAromaticRings: | 1 |
