Glycoside
GD011673
Name:
NoneFormula:
C45H66O11S2Smiles:
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)O[C@@H]1COc1c(C(C)(C)C)ccc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C(C)(C)CAglycone:
COc1c(C(C)(C)C)ccc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C(C)(C)CSugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 9.66 | Num_rotatable_bonds: | 11 |
| MolWt: | 847.15 | Num_heavy_atoms: | 58 |
| TPSA: | 143.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD08891
Formula: C32H50O2S2
Smiles:
COc1c(C(C)(C)C)ccc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C(C)(C)C| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 10.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 530.88 | Num_heavy_atoms: | 36 |
| TPSA: | 29.46 | NumAromaticRings: | 2 |
