Glycoside
GD028505
Name:
NoneFormula:
C18H25O3N7SSmiles:
CCCCC#Cc1nc(N)c2ncn(C3O[C@H](CN=C(S)NC)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCC#Cc1nc(N)c2c(n1)[N]C=N2.CN=C(S)NCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 419.51 | Num_heavy_atoms: | 29 |
| TPSA: | 143.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD02797
Formula: C11H12N5
Smiles:
CCCCC#Cc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 214.25 | Num_heavy_atoms: | 16 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD18612
Formula: C3H8N2S
Smiles:
CN=C(S)NC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 0 |
| MolWt: | 104.18 | Num_heavy_atoms: | 6 |
| TPSA: | 24.39 | NumAromaticRings: | 0 |
