Glycoside
GD029284
Name:
NoneFormula:
C27H35O9NSSmiles:
CCCC[C@@]1(CC)CS(=O)(=O)c2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)ccc2[C@H](c2ccccc2)N1Aglycone:
CCCCC1(CC)CS(=O)(=O)c2cc(O)ccc2C(c2ccccc2)N1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 8 |
| MolWt: | 549.64 | Num_heavy_atoms: | 38 |
| TPSA: | 162.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD19063
Formula: C21H27O3NS
Smiles:
CCCCC1(CC)CS(=O)(=O)c2cc(O)ccc2C(c2ccccc2)N1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 373.52 | Num_heavy_atoms: | 26 |
| TPSA: | 66.4 | NumAromaticRings: | 2 |
