Glycoside
GD135873
Name:
2-{[7-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}oxane-3,4,5-triolFormula:
C25H32O10Smiles:
COc1ccc(C2c3cc(O)c(OC)cc3CC(CO)C2COC2OCC(O)C(O)C2O)cc1OAglycone:
COc1ccc(C2c3cc(O)c(OC)cc3CC(CO)C2CO)cc1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.52 | Num_heavy_atoms: | 35 |
| TPSA: | 158.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD54935
Formula: C20H24O6
Smiles:
COc1ccc(C2c3cc(O)c(OC)cc3CC(CO)C2CO)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
