Glycoside
GD029600
Name:
NoneFormula:
C22H25O9N5Smiles:
COc1ccc2[nH]cc(C[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)c2c1Aglycone:
COc1ccc2[nH]cc(CC(N)C(=O)NCC(=O)O)c2c1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.36 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 503.47 | Num_heavy_atoms: | 36 |
| TPSA: | 221.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD19239
Formula: C14H17O4N3
Smiles:
COc1ccc2[nH]cc(CC(N)C(=O)NCC(=O)O)c2c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 291.31 | Num_heavy_atoms: | 21 |
| TPSA: | 117.44 | NumAromaticRings: | 2 |
