Glycoside
GD114680
Name:
2-{2-hydroxy-5-[2-(1,3,4-trihydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C24H28O10Smiles:
OCC1OC(Oc2cc(C=Cc3c(O)c(O)c4c(c3O)CCCC4)ccc2O)C(O)C(O)C1OAglycone:
Oc1ccc(C=Cc2c(O)c(O)c3c(c2O)CCCC3)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.42 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.48 | Num_heavy_atoms: | 34 |
| TPSA: | 180.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD45209
Formula: C18H18O5
Smiles:
Oc1ccc(C=Cc2c(O)c(O)c3c(c2O)CCCC3)cc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.22 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 314.34 | Num_heavy_atoms: | 23 |
| TPSA: | 101.15 | NumAromaticRings: | 2 |
