Glycoside
GD133589
Name:
NoneFormula:
C44H48O13N4Smiles:
NC1CCCC1(c1ccccc1)C1C(CCO)=CC2(C(=O)O)C1c1cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc1N2C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1Aglycone:
NC1CCCC1(c1ccccc1)C1C(CCO)=CC2(C(=O)O)C1c1cc(O)c(O)cc1N2C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.41 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 12 |
| MolWt: | 840.88 | Num_heavy_atoms: | 61 |
| TPSA: | 288.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD54064
Formula: C38H38O7N4
Smiles:
NC1CCCC1(c1ccccc1)C1C(CCO)=CC2(C(=O)O)C1c1cc(O)c(O)cc1N2C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.32 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 662.74 | Num_heavy_atoms: | 49 |
| TPSA: | 189.27 | NumAromaticRings: | 3 |
