Glycoside
GD156731
Name:
NoneFormula:
C42H48O13N4Smiles:
NC1CCCC1(CC1c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N(C(=O)C=Cc2ccc(O)c(CC3=NCN=C3CCO)c2)C1C(=O)O)c1ccccc1Aglycone:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(CC3=NCN=C3CCO)c2)C1C(=O)O)c1ccccc1Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.43 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 13 |
| MolWt: | 816.86 | Num_heavy_atoms: | 59 |
| TPSA: | 288.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD62033
Formula: C36H38O7N4
Smiles:
NC1CCCC1(CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(CC3=NCN=C3CCO)c2)C1C(=O)O)c1ccccc1| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 638.72 | Num_heavy_atoms: | 47 |
| TPSA: | 189.27 | NumAromaticRings: | 3 |
