Glycoside
GD002537
Name:
NoneFormula:
C18H27O5N7Smiles:
CCNC(=O)[C@@H]1OC(n2cnc3c(NCCN4CCOCC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCCN2CCOCC2)[N]1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 421.46 | Num_heavy_atoms: | 30 |
| TPSA: | 146.89 | 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 |
AD02415
Formula: C11H15ON6
Smiles:
C1=Nc2c(ncnc2NCCN2CCOCC2)[N]1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 247.28 | Num_heavy_atoms: | 18 |
| TPSA: | 76.74 | NumAromaticRings: | 1 |
