Glycoside
GD016008
Name:
NoneFormula:
C25H39O15N5Smiles:
CC(=O)NC1C(OC2C(CO)OC(OCC3OC(n4ccc(N)nc4=O)C(O)C3O)C(NC(C)=O)C2O)OC(CO)C(O)C1OAglycone:
Nc1cc[nH]c(=O)n1Sugarmoiety:
CC(=O)NC1C(OC2C(CO)OC(OCC3OC(O)C(O)C3O)C(NC(C)=O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.76 |
| AlogP: | -6.63 | Num_rotatable_bonds: | 10 |
| MolWt: | 649.61 | Num_heavy_atoms: | 45 |
| TPSA: | 306.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
