Glycoside
GD008650
Name:
NoneFormula:
C35H40O13SSmiles:
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 13 |
| MolWt: | 700.76 | Num_heavy_atoms: | 49 |
| TPSA: | 195.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD06880
Formula: C29H32O7S
Smiles:
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OCC3CC(=O)O)c1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.34 |
| AlogP: | 5.31 | Num_rotatable_bonds: | 11 |
| MolWt: | 524.64 | Num_heavy_atoms: | 37 |
| TPSA: | 99.13 | NumAromaticRings: | 3 |
