Glycoside
GD024137
Name:
PSEUDOPTEROSIN XFormula:
C29H40O8Smiles:
CC(=O)O[C@H]1CO[C@@H](Oc2c(C)c3c4c(c2O)[C@H](C)CC[C@H]4[C@H](C)C[C@H]3C=C(C)C)[C@@H](OC(C)=O)[C@@H]1OAglycone:
CC(C)=CC1CC(C)C2CCC(C)c3c(O)c(O)c(C)c1c32Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.66 |
| AlogP: | 4.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 516.63 | Num_heavy_atoms: | 37 |
| TPSA: | 111.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD01472
Formula: C20H28O2
Smiles:
CC(C)=CC1CC(C)C2CCC(C)c3c(O)c(O)c(C)c1c32| HBA: | 2 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 5.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 300.44 | Num_heavy_atoms: | 22 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
