Glycoside
GD013959
Name:
NoneFormula:
C17H23O4N7Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(C#CCN(C)C)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.CN(C)CC#Cc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 389.42 | Num_heavy_atoms: | 28 |
| TPSA: | 151.65 | 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 |
AD10344
Formula: C10H11N6
Smiles:
CN(C)CC#Cc1nc(N)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 215.24 | Num_heavy_atoms: | 16 |
| TPSA: | 81.5 | NumAromaticRings: | 1 |
