Glycoside
GD035931
Name:
PTEROCEREINEFormula:
C19H29O9NSmiles:
COc1cc2c(c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c1OC)CCN(C)C2COAglycone:
COc1cc2c(c(O)c1OC)CCN(C)C2COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.68 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 415.44 | Num_heavy_atoms: | 29 |
| TPSA: | 141.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD22706
Formula: C13H19O4N
Smiles:
COc1cc2c(c(O)c1OC)CCN(C)C2CO| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 253.3 | Num_heavy_atoms: | 18 |
| TPSA: | 62.16 | NumAromaticRings: | 1 |
