Glycoside
GD012070
Name:
NoneFormula:
C20H29O5N7Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NC(=O)CCC4CCCC4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1nc(NC(=O)CCC2CCCC2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 447.5 | Num_heavy_atoms: | 32 |
| TPSA: | 177.51 | 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 |
AD02576
Formula: C13H17ON6
Smiles:
Nc1nc(NC(=O)CCC2CCCC2)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 273.32 | Num_heavy_atoms: | 20 |
| TPSA: | 107.36 | NumAromaticRings: | 1 |
