Glycoside
GD000138
Name:
NoneFormula:
C26H31O6N7Smiles:
CCCCC#Cc1nc(NC(=O)Nc2ccc(OC)cc2)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCC#Cc1nc2c(c(NC(=O)Nc3ccc(OC)cc3)n1)N=C[N]2.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 537.58 | Num_heavy_atoms: | 39 |
| TPSA: | 172.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD00169
Formula: C19H19O2N6
Smiles:
CCCCC#Cc1nc2c(c(NC(=O)Nc3ccc(OC)cc3)n1)N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.26 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 363.4 | Num_heavy_atoms: | 27 |
| TPSA: | 102.6 | NumAromaticRings: | 2 |
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 |
