Glycoside
GD123450
Name:
N-oxo-N-(3-phenyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]propylidene)sulfamic acidFormula:
C20H29O14NS2Smiles:
O=S(=O)(O)[N+]([O-])=C(CC(OC1OCC(O)C(O)C1O)c1ccccc1)SC1OC(CO)C(O)C(O)C1OAglycone:
O=S(=O)(O)[N+]([O-])=C(S)CC(O)c1ccccc1Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -3.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 571.58 | Num_heavy_atoms: | 37 |
| TPSA: | 249.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD49823
Formula: C9H11O5NS2
Smiles:
O=S(=O)(O)[N+]([O-])=C(S)CC(O)c1ccccc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 277.32 | Num_heavy_atoms: | 17 |
| TPSA: | 100.67 | NumAromaticRings: | 1 |
