Glycoside
GD132507
Name:
NoneFormula:
C44H44O12N4Smiles:
NC1CCC2C=Cc3ccccc3C12C1C=CC2(C(=O)O)C1c1cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc1N2C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1Aglycone:
NC1CCC2C=Cc3ccccc3C12C1C=CC2(C(=O)O)C1c1cc(O)c(O)cc1N2C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.36 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 820.85 | Num_heavy_atoms: | 60 |
| TPSA: | 268.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD53656
Formula: C38H34O6N4
Smiles:
NC1CCC2C=Cc3ccccc3C12C1C=CC2(C(=O)O)C1c1cc(O)c(O)cc1N2C(=O)C=Cc1ccc(O)c(CC2=NCN=C2)c1| HBA: | 10 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.26 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 642.71 | Num_heavy_atoms: | 48 |
| TPSA: | 169.04 | NumAromaticRings: | 3 |
