Glycoside
GD015465
Name:
NoneFormula:
C20H28O4N6Smiles:
CCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCC#Cc1nc2c(c(NCC)n1)N=C[N]2.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 416.48 | Num_heavy_atoms: | 30 |
| TPSA: | 134.42 | NumAromaticRings: | 2 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD11233
Formula: C13H16N5
Smiles:
CCCCC#Cc1nc2c(c(NCC)n1)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 242.31 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
