Glycoside
GD001662
Name:
NoneFormula:
C35H41O11NS2Smiles:
COc1ccc2cc([C@H](C)C(=O)OCCC(SSCc3ccccc3)=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)SSCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 16 |
| MolWt: | 715.84 | Num_heavy_atoms: | 49 |
| TPSA: | 172.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD01644
Formula: C30H33O6NS2
Smiles:
COC(=O)CN(C=O)C(C)=C(CCOC(=O)C(C)c1ccc2cc(OC)ccc2c1)SSCc1ccccc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 6.33 | Num_rotatable_bonds: | 14 |
| MolWt: | 567.73 | Num_heavy_atoms: | 39 |
| TPSA: | 82.14 | NumAromaticRings: | 3 |
