Glycoside
GD121430
Name:
NoneFormula:
C37H36O13N5Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3OC3OC(CO)C(O)C(O)C3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1Aglycone:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2=N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.32 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 12 |
| MolWt: | 758.72 | Num_heavy_atoms: | 55 |
| TPSA: | 286.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD46293
Formula: C31H26O8N5
Smiles:
[NH2+]=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: | 6 | FractionCSP3: | 0.19 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 596.58 | Num_heavy_atoms: | 44 |
| TPSA: | 207.27 | NumAromaticRings: | 3 |
