Glycoside
GD127679
Name:
4-ethenyl-8-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H,4H,4aH,5H,6H,7H,8H-pyrano[3,4-c]pyridine-6-sulfonic acidFormula:
C16H23O11NSSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(O)=NC(S(=O)(=O)O)CC21Aglycone:
C=CC1C(O)OC=C2C(O)=NC(S(=O)(=O)O)CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 437.42 | Num_heavy_atoms: | 29 |
| TPSA: | 195.57 | NumAromaticRings: | 0 |
Unique Aglycone
AD51703
Formula: C10H13O6NS
Smiles:
C=CC1C(O)OC=C2C(O)=NC(S(=O)(=O)O)CC21| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 275.28 | Num_heavy_atoms: | 18 |
| TPSA: | 116.42 | NumAromaticRings: | 0 |
