Glycoside
GD131788
Name:
NoneFormula:
C25H29O12NS2Smiles:
O=C(OCCCCC(=NOS(=O)(=O)O)SC1OC(COC(=O)c2ccccc2)C(O)C(O)C1O)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=C(OCCCCC(S)=NOS(=O)(=O)O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 12 |
| MolWt: | 599.64 | Num_heavy_atoms: | 40 |
| TPSA: | 198.48 | NumAromaticRings: | 2 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD51441
Formula: C12H15O6NS2
Smiles:
O=C(OCCCCC(S)=NOS(=O)(=O)O)c1ccccc1| HBA: | 7 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 333.39 | Num_heavy_atoms: | 21 |
| TPSA: | 102.26 | NumAromaticRings: | 1 |
