Glycoside
GD023044
Name:
XYLOPIMARANEFormula:
C25H36O8Smiles:
C=C[C@@]1(C)CCc2c3c(c(O)c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c2[C@H]1O)C(C)(C)CCC3Aglycone:
C=CC1(C)CCc2c3c(c(O)c(O)c2C1O)C(C)(C)CCC3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 464.56 | Num_heavy_atoms: | 33 |
| TPSA: | 139.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD15545
Formula: C19H26O3
Smiles:
C=CC1(C)CCc2c3c(c(O)c(O)c2C1O)C(C)(C)CCC3| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.41 | Num_heavy_atoms: | 22 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
