Glycoside
GD140786
Name:
NoneFormula:
C43H48O13N4Smiles:
NC1CCCC1(CC1c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N(C(=O)C=Cc2ccc(O)c(CC3=NCN=C3CCC=O)c2)C1C(=O)O)c1ccccc1Aglycone:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(CC3=NCN=C3CCC=O)c2)C1C(=O)O)c1ccccc1Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.42 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 14 |
| MolWt: | 828.87 | Num_heavy_atoms: | 60 |
| TPSA: | 285.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD56760
Formula: C37H38O7N4
Smiles:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(CC3=NCN=C3CCC=O)c2)C1C(=O)O)c1ccccc1| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 650.73 | Num_heavy_atoms: | 48 |
| TPSA: | 186.11 | NumAromaticRings: | 3 |
