Glycoside
GD022708
Name:
NoneFormula:
C22H32O4N6Smiles:
CCCCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCCCC#Cc1nc2c(c(NCC)n1)N=C[N]2.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 444.54 | Num_heavy_atoms: | 32 |
| 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 |
AD15361
Formula: C15H20N5
Smiles:
CCCCCCC#Cc1nc2c(c(NCC)n1)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 270.36 | Num_heavy_atoms: | 20 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
