Glycoside
GD142866
Name:
{[(3-phenyl-1-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]sulfanyl}propylidene)amino]oxy}sulfonic acidFormula:
C23H29O13NS2Smiles:
CC(=O)OCC1OC(SC(CCc2ccccc2)=NOS(=O)(=O)O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.O=S(=O)(O)ON=C(S)CCc1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.52 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 11 |
| MolWt: | 591.61 | Num_heavy_atoms: | 39 |
| TPSA: | 190.39 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD06061
Formula: C9H11O4NS2
Smiles:
O=S(=O)(O)ON=C(S)CCc1ccccc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 261.32 | Num_heavy_atoms: | 16 |
| TPSA: | 75.96 | NumAromaticRings: | 1 |
