Glycoside
GD148934
Name:
5-ethenyl-15-hydroxy-3,17-dimethoxy-12-(3,4,5-trihydroxy-5,6-dimethyloxan-2-yl)-9-oxatetracyclo[8.8.0.0²,â·.0¹¹,¹â¶]octadeca-1(10),2(7),3,5,11,13,15,17-octaen-8-oneFormula:
C28H28O9Smiles:
C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc(C3OC(C)C(C)(O)C(O)C3O)c21Aglycone:
C=Cc1cc(OC)c2c(c1)c(=O)oc1c3cccc(O)c3c(OC)cc12Sugarmoiety:
CC1OC(O)C(O)C(O)C1(C)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 508.52 | Num_heavy_atoms: | 37 |
| TPSA: | 138.82 | NumAromaticRings: | 4 |
Unique Aglycone
AD02034
Formula: C21H16O5
Smiles:
C=Cc1cc(OC)c2c(c1)c(=O)oc1c3cccc(O)c3c(OC)cc12| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 348.35 | Num_heavy_atoms: | 26 |
| TPSA: | 68.9 | NumAromaticRings: | 4 |
