Glycoside
GD034822
Name:
NoneFormula:
C26H31O10NSSmiles:
CSCCC(N=C1c2c(O)cccc2C([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2cc(CO)cc(O)c21)C(=O)OAglycone:
CSCCC(N=C1c2c(O)cccc2Cc2cc(CO)cc(O)c21)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 549.6 | Num_heavy_atoms: | 38 |
| TPSA: | 200.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD22089
Formula: C20H21O5NS
Smiles:
CSCCC(N=C1c2c(O)cccc2Cc2cc(CO)cc(O)c21)C(=O)O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 387.46 | Num_heavy_atoms: | 27 |
| TPSA: | 110.35 | NumAromaticRings: | 2 |
