Glycoside
GD135429
Name:
2-{[7-hydroxy-3-(hydroxymethyl)-6,8-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}oxane-3,4,5-triolFormula:
C28H38O12Smiles:
COc1cc2c(c(OC)c1O)C(c1cc(OC)c(OC)c(OC)c1)C(COC1OCC(O)C(O)C1O)C(CO)C2Aglycone:
COc1cc2c(c(OC)c1O)C(c1cc(OC)c(OC)c(OC)c1)C(CO)C(CO)C2Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 10 |
| MolWt: | 566.6 | Num_heavy_atoms: | 40 |
| TPSA: | 165.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD49519
Formula: C23H30O8
Smiles:
COc1cc2c(c(OC)c1O)C(c1cc(OC)c(OC)c(OC)c1)C(CO)C(CO)C2| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 434.49 | Num_heavy_atoms: | 31 |
| TPSA: | 106.84 | NumAromaticRings: | 2 |
