Glycoside
GD139654
Name:
NoneFormula:
C32H47O12N4Smiles:
CNC(=[NH2+])NC1=C(C=CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2C=C2CCCCC2)CN(CCO)C=C1C(=O)OAglycone:
CNC(=[NH2+])NC1=C(C=CC2C(C(=O)OC)=COC(O)C2C=C2CCCCC2)CN(CCO)C=C1C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.59 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 11 |
| MolWt: | 679.74 | Num_heavy_atoms: | 48 |
| TPSA: | 245.33 | NumAromaticRings: | 0 |
Unique Aglycone
AD56316
Formula: C26H37O7N4
Smiles:
CNC(=[NH2+])NC1=C(C=CC2C(C(=O)OC)=COC(O)C2C=C2CCCCC2)CN(CCO)C=C1C(=O)O| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 517.6 | Num_heavy_atoms: | 37 |
| TPSA: | 166.18 | NumAromaticRings: | 0 |
