Glycoside
GD156202
Name:
NoneFormula:
C36H36O12N5Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCCO)c3OC3OC(CO)C(O)C(O)C3(O)CCO)C(=O)c3ccccc3C4=O)C2=N1Aglycone:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCCO)c3O)C(=O)c3ccccc3C4=O)C2=N1Sugarmoiety:
OCCC1(O)C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.33 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 11 |
| MolWt: | 730.71 | Num_heavy_atoms: | 53 |
| TPSA: | 269.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD51605
Formula: C28H22O6N5
Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCCO)c3O)C(=O)c3ccccc3C4=O)C2=N1| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.14 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 524.51 | Num_heavy_atoms: | 39 |
| TPSA: | 169.97 | NumAromaticRings: | 3 |
