Glycoside
GD002180
Name:
NoneFormula:
C20H30O5N6Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(N)nc(CC4CCC(CO)CC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(CC2CCC(CO)CC2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 434.5 | Num_heavy_atoms: | 31 |
| TPSA: | 168.64 | 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 |
AD02111
Formula: C13H18ON5
Smiles:
Nc1nc(CC2CCC(CO)CC2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.32 | Num_heavy_atoms: | 19 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
