Glycoside
GD034949
Name:
NoneFormula:
C26H29O11N3SSmiles:
COc1ccc2nc(COc3ccc(CC(SC(=O)N[C@@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]4O)C(=O)O)cc3)n(C)c2c1Aglycone:
COc1ccc2nc(COc3ccc(CC(SC(N)=O)C(=O)O)cc3)n(C)c2c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 10 |
| MolWt: | 591.6 | Num_heavy_atoms: | 41 |
| TPSA: | 209.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD22156
Formula: C20H21O5N3S
Smiles:
COc1ccc2nc(COc3ccc(CC(SC(N)=O)C(=O)O)cc3)n(C)c2c1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 8 |
| MolWt: | 415.47 | Num_heavy_atoms: | 29 |
| TPSA: | 116.67 | NumAromaticRings: | 3 |
