Glycoside
GD126269
Name:
ZosterinFormula:
C25H28O12Smiles:
CC(=O)Oc1cc(OC(C)=O)c(C(=O)CCc2ccc(O)cc2)c(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
CC(=O)Oc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(OC(C)=O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 520.49 | Num_heavy_atoms: | 37 |
| TPSA: | 189.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD51083
Formula: C19H18O7
Smiles:
CC(=O)Oc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(OC(C)=O)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 110.13 | NumAromaticRings: | 2 |
