Glycoside
GD027419
Name:
NoneFormula:
C70H106O43S8Smiles:
O=C(O)CC(SCCCOCC1OC(OCCCSC(CC(=O)O)C(=O)O)C(OCCCSC(CC(=O)O)C(=O)O)C(OCCCSC(CC(=O)O)C(=O)O)C1COCC1OC(COCCCSC(CC(=O)O)C(=O)O)C(OCCCSC(CC(=O)O)C(=O)O)C(OCCCSC(CC(=O)O)C(=O)O)C1OCCCSC(CC(=O)O)C(=O)O)C(=O)OAglycone:
COCCCSC(CC(=O)O)C(=O)O.COCCCSC(CC(=O)O)C(=O)O.O=C(O)CC(SCCCO)C(=O)O.O=C(O)CC(SCCCO)C(=O)O.O=C(O)CC(SCCCO)C(=O)O.O=C(O)CC(SCCCO)C(=O)O.O=C(O)CC(SCCCO)C(=O)O.O=C(O)CC(SCCCO)C(=O)OSugarmoiety:
OCC1OC(COCC2C(O)OOC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 43 | RingCount: | 2 |
| HBD: | 16 | FractionCSP3: | 0.77 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 78 |
| MolWt: | 1892.11 | Num_heavy_atoms: | 121 |
| TPSA: | 698.33 | NumAromaticRings: | 0 |
Unique Aglycone
AD03526
Formula: C8H14O5S
Smiles:
COCCCSC(CC(=O)O)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 222.26 | Num_heavy_atoms: | 14 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
AD03527
Formula: C7H12O5S
Smiles:
O=C(O)CC(SCCCO)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 208.23 | Num_heavy_atoms: | 13 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
