Glycoside
GD008571
Name:
NoneFormula:
C27H34O9N2SSmiles:
COc1c(NC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@H](NC(C)=O)CC2Aglycone:
COc1c(N)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 562.64 | Num_heavy_atoms: | 39 |
| TPSA: | 166.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD05846
Formula: C21H24O4N2S
Smiles:
COc1c(N)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.5 | Num_heavy_atoms: | 28 |
| TPSA: | 90.65 | NumAromaticRings: | 2 |
