Glycoside
GD124242
Name:
NoneFormula:
C33H30O11N5Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(O)c3OC3OC(CO)C(O)C(O)C3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1Aglycone:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.27 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 672.63 | Num_heavy_atoms: | 49 |
| TPSA: | 260.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD50180
Formula: C27H20O6N5
Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.11 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 510.49 | Num_heavy_atoms: | 38 |
| TPSA: | 180.97 | NumAromaticRings: | 3 |
