Glycoside
GD031591
Name:
NoneFormula:
C20H21O7N5Smiles:
COc1cccc(-c2cc(CNC(=O)[C@@H]3O[C@H](n4ccc(N)nc4=O)[C@H](O)[C@H]3O)no2)c1Aglycone:
COc1cccc(-c2cc(CNC=O)no2)c1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.42 | Num_heavy_atoms: | 32 |
| TPSA: | 174.96 | NumAromaticRings: | 3 |
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 |
AD10383
Formula: C12H12O3N2
Smiles:
COc1cccc(-c2cc(CNC=O)no2)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 232.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.36 | NumAromaticRings: | 2 |
