Glycoside
GD107696
Name:
NoneFormula:
C26H31O8N3Smiles:
CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1O/N=C1/C(=O)N(CCOc2ccc(C)cc2)c2ccc(C)cc21Aglycone:
Cc1ccc(OCCN2C(=O)C(=NO)c3cc(C)ccc32)cc1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 513.55 | Num_heavy_atoms: | 37 |
| TPSA: | 150.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD44322
Formula: C18H18O3N2
Smiles:
Cc1ccc(OCCN2C(=O)C(=NO)c3cc(C)ccc32)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 310.35 | Num_heavy_atoms: | 23 |
| TPSA: | 62.13 | NumAromaticRings: | 2 |
