Glycoside
GD024890
Name:
NoneFormula:
C31H41O11NS2Smiles:
COc1ccc2cc([C@H](C)C(=O)OCCC(SSC(C)C)=C(C)N(C=O)CC(=O)OC[C@@H]3O[C@H](O)[C@H](O)[C@H](O)[C@H]3O)ccc2c1Aglycone:
COC(=O)CN(C=O)C(C)=C(CCOC(=O)C(C)c1ccc2cc(OC)ccc2c1)SSC(C)CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 15 |
| MolWt: | 667.8 | Num_heavy_atoms: | 45 |
| TPSA: | 172.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD16568
Formula: C26H33O6NS2
Smiles:
COC(=O)CN(C=O)C(C)=C(CCOC(=O)C(C)c1ccc2cc(OC)ccc2c1)SSC(C)C| HBA: | 7 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 5.54 | Num_rotatable_bonds: | 13 |
| MolWt: | 519.69 | Num_heavy_atoms: | 35 |
| TPSA: | 82.14 | NumAromaticRings: | 2 |
