Glycoside
GD124907
Name:
2-({2,4-dihydroxy-3-[2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C30H38O15Smiles:
OCC1OC(Oc2cc(C=Cc3c(O)c4c(c(OC5OC(CO)C(O)C(O)C5O)c3O)CCCC4)ccc2O)C(O)C(O)C1OAglycone:
Oc1ccc(C=Cc2c(O)c(O)c3c(c2O)CCCC3)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.53 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 638.62 | Num_heavy_atoms: | 45 |
| TPSA: | 259.45 | 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 |
