Glycoside
GD033546
Name:
NoneFormula:
C36H56O6S2Smiles:
CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC[C@@H]2OC(O)[C@H](O)[C@H]2O)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:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 8.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 648.97 | Num_heavy_atoms: | 44 |
| TPSA: | 99.38 | 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 |
