Glycoside
GD114823
Name:
NoneFormula:
C42H46O11N4Smiles:
O=C(O)C1C(CC23CCCCC2CNc2ccccc23)c2cc(O)c(OC3OC(CO)C(O)C(O)C3O)cc2N1C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1Aglycone:
O=C(O)C1C(CC23CCCCC2CNc2ccccc23)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 10 |
| MolWt: | 782.85 | Num_heavy_atoms: | 57 |
| TPSA: | 234.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD45310
Formula: C36H36O6N4
Smiles:
O=C(O)C1C(CC23CCCCC2CNc2ccccc23)c2cc(O)c(O)cc2N1C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 5.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 620.71 | Num_heavy_atoms: | 46 |
| TPSA: | 155.05 | NumAromaticRings: | 3 |
