Glycoside
GD133332
Name:
NoneFormula:
C40H43O13N3Smiles:
O=C(O)C1C(CC2(c3ccccc3O)CCCC2)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(CC2(c3ccccc3O)CCCC2)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: | 7 |
| HBD: | 9 | FractionCSP3: | 0.4 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 11 |
| MolWt: | 773.79 | Num_heavy_atoms: | 56 |
| TPSA: | 262.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD53968
Formula: C34H33O7N3
Smiles:
O=C(O)C1C(CC2(c3ccccc3O)CCCC2)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 5.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 595.65 | Num_heavy_atoms: | 44 |
| TPSA: | 163.25 | NumAromaticRings: | 3 |
