Glycoside
GD131484
Name:
NoneFormula:
C20H29O20NSSmiles:
CC(O)=NC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(CO)C(OS(=O)(=O)O)C1OC1OC(C(=O)O)=CC(O)C1OAglycone:
O=C(O)C1=CC(O)C(O)C(O)O1.O=S(=O)(O)OSugarmoiety:
CC(O)=NC1C(OC2C(C(=O)O)OC(O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.75 |
| AlogP: | -5.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 635.51 | Num_heavy_atoms: | 42 |
| TPSA: | 338.32 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD03451
Formula: C6H8O6
Smiles:
O=C(O)C1=CC(O)C(O)C(O)O1| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.12 | Num_heavy_atoms: | 12 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
