Glycoside
GD094195
Name:
NoneFormula:
C20H26O9N2SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(COc1ccc(CC2SC(=O)NC2=O)cc1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 470.5 | Num_heavy_atoms: | 32 |
| TPSA: | 163.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD40498
Formula: C14H16O5N2S
Smiles:
O=C(COc1ccc(CC2SC(=O)NC2=O)cc1)NCCO| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 324.36 | Num_heavy_atoms: | 22 |
| TPSA: | 104.73 | NumAromaticRings: | 1 |
