Glycoside
GD128632
Name:
5-ethenyl-15-hydroxy-3,17-dimethoxy-12-[(3,4,5-trihydroxy-4,6-dimethyloxan-2-yl)oxy]-9-oxatetracyclo[8.8.0.0²,â·.0¹¹,¹â¶]octadeca-1(10),2(7),3,5,11,13,15,17-octaen-8-oneFormula:
C28H28O10Smiles:
C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc(OC3OC(C)C(O)C(C)(O)C3O)c21Aglycone:
C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc(O)c21Sugarmoiety:
CC1OC(O)C(O)C(C)(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 524.52 | Num_heavy_atoms: | 38 |
| TPSA: | 148.05 | NumAromaticRings: | 4 |
Unique Aglycone
AD52104
Formula: C21H16O6
Smiles:
C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc(O)c21| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 4.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 364.35 | Num_heavy_atoms: | 27 |
| TPSA: | 89.13 | NumAromaticRings: | 4 |
