Glycoside
GD107102
Name:
Beta-Peltatin-O-Beta-D-GlucopyranosideFormula:
C28H32O13Smiles:
COc1cc([C@@H]2c3cc4c(c(O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)c3C[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OCAglycone:
COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 576.55 | Num_heavy_atoms: | 41 |
| TPSA: | 171.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD18232
Formula: C22H22O8
Smiles:
COc1cc(C2c3cc4c(c(O)c3CC3COC(=O)C32)OCO4)cc(OC)c1OC| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 414.41 | Num_heavy_atoms: | 30 |
| TPSA: | 92.68 | NumAromaticRings: | 2 |
