Glycoside
GD145235
Name:
2-{4-[4-(4-hydroxy-3,5-dimethoxyphenyl)-octahydropentalen-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C30H40O11Smiles:
COc1cc(C2CCC3C(c4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)CCC23)cc(OC)c1OAglycone:
COc1cc(C2CCC3C(c4cc(OC)c(O)c(OC)c4)CCC23)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 576.64 | Num_heavy_atoms: | 41 |
| TPSA: | 156.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD58312
Formula: C24H30O6
Smiles:
COc1cc(C2CCC3C(c4cc(OC)c(O)c(OC)c4)CCC23)cc(OC)c1O| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 4.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.5 | Num_heavy_atoms: | 30 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
