Glycoside
GD116528
Name:
NoneFormula:
C39H39O14N5Smiles:
N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3OC3OC(CO)C(O)C(O)C3(O)CCO)C(=O)c3cc(CO)ccc3C4=O)C2=N1Aglycone:
N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1Sugarmoiety:
OCCC1(O)C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.36 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 14 |
| MolWt: | 801.76 | Num_heavy_atoms: | 58 |
| TPSA: | 304.91 | NumAromaticRings: | 3 |
Unique Aglycone
AD46292
Formula: C31H25O8N5
Smiles:
N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.19 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 595.57 | Num_heavy_atoms: | 44 |
| TPSA: | 205.53 | NumAromaticRings: | 3 |
