Glycoside
GD148806
Name:
NoneFormula:
C36H37O13N3Smiles:
O=C(O)C1C(CCc2ccccc2O)c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N1C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1Aglycone:
O=C(O)C1C(CCc2ccccc2O)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.33 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 11 |
| MolWt: | 719.7 | Num_heavy_atoms: | 52 |
| TPSA: | 262.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD56433
Formula: C30H27O7N3
Smiles:
O=C(O)C1C(CCc2ccccc2O)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.2 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 8 |
| MolWt: | 541.56 | Num_heavy_atoms: | 40 |
| TPSA: | 163.25 | NumAromaticRings: | 3 |
