Glycoside
GD122794
Name:
2-{[6,7-bis(hydroxymethyl)-1,3-dimethoxy-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C29H40O13Smiles:
COc1cc(C2c3c(cc(OC)c(OC4OC(CO)C(O)C(O)C4O)c3OC)CC(CO)C2CO)cc(OC)c1OCAglycone:
COc1cc2c(c(OC)c1O)C(c1cc(OC)c(OC)c(OC)c1)C(CO)C(CO)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 11 |
| MolWt: | 596.63 | Num_heavy_atoms: | 42 |
| TPSA: | 185.99 | 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 |
