Glycoside
GD095305
Name:
NoneFormula:
C20H26O10N2SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)CNC(=O)OCC2=Cc3ccccc3S2(=O)=O)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(CNC(=O)OCC1=Cc2ccccc2S1(=O)=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 486.5 | Num_heavy_atoms: | 33 |
| TPSA: | 180.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD40675
Formula: C14H16O6N2S
Smiles:
O=C(CNC(=O)OCC1=Cc2ccccc2S1(=O)=O)NCCO| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 340.36 | Num_heavy_atoms: | 23 |
| TPSA: | 121.8 | NumAromaticRings: | 1 |
