Glycoside
GD027736
Name:
SKYRIN GLUCOSIDEFormula:
C36H28O15Smiles:
Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C2=OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.22 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 4 |
| MolWt: | 700.61 | Num_heavy_atoms: | 51 |
| TPSA: | 268.81 | NumAromaticRings: | 4 |
Unique Aglycone
AD18198
Formula: C30H18O10
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C2=O| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 538.46 | Num_heavy_atoms: | 40 |
| TPSA: | 189.66 | NumAromaticRings: | 4 |
