Glycoside
GD115266
Name:
(S)-3'-HydroxyepiglucoisatisinFormula:
C21H26O13N2S2Smiles:
C=CC(CC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O)OC(=O)CC1(O)C(O)=Nc2ccccc21Aglycone:
C=CC(CC(S)=NOS(=O)(=O)O)OC(=O)CC1(O)C(O)=Nc2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 578.57 | Num_heavy_atoms: | 38 |
| TPSA: | 245.23 | NumAromaticRings: | 1 |
Unique Aglycone
AD45560
Formula: C15H16O8N2S2
Smiles:
C=CC(CC(S)=NOS(=O)(=O)O)OC(=O)CC1(O)C(O)=Nc2ccccc21| HBA: | 10 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 8 |
| MolWt: | 416.43 | Num_heavy_atoms: | 27 |
| TPSA: | 155.08 | NumAromaticRings: | 1 |
